SCHEMBL914607

SCHEMBL914607

COc1ccc(C2Nc3ccc(C(C)=O)cc3C3C=CCC32)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.81
MAPT P10636 9/20 0.77
KMT2A Q03164 7/20 0.77
MEN1 O00255 6/20 0.77
ALDH1A1 P00352 5/20 0.77
KDM4E B2RXH2 4/20 0.77
POLB P06746 4/20 0.77
GAA P10253 3/20 0.77
PKM P14618 1/20 0.77
RECQL P46063 1/20 0.77
ALOX12 P18054 1/20 0.68
HTT P42858 1/20 0.68
TDP1 Q9NUW8 1/20 0.66
PLA2G1B P04054 2/20 0.65
ATG4B Q9Y4P1 2/20 0.65
CASP3 P42574 1/20 0.65
CASP6 P55212 1/20 0.65
LMNA P02545 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
L3MBTL1 Q9Y468 3/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL915030 0.88 AR (0.78) ARMAPTKMT2AMEN1ALDH1A1
SCHEMBL915769 0.88 L3MBTL1 (0.71) ARMAPTKMT2AMEN1ALDH1A1
SCHEMBL15300175 0.87 MAPT (0.78) ARMAPTKMT2AMEN1ALDH1A1
SCHEMBL14582287 0.87 KMT2A (0.80) ARMAPTKMT2AMEN1ALDH1A1
SCHEMBL12700987 0.85 AR (0.74) ARMAPTKMT2AMEN1ALDH1A1
SCHEMBL21105592 0.83 L3MBTL1 (0.71) ARMAPTKMT2AMEN1ALDH1A1
SCHEMBL18130996 0.83 L3MBTL1 (0.71) ARMAPTKMT2AMEN1ALDH1A1
SCHEMBL15107715 0.83 AR (0.65) ARMAPTKMT2AMEN1ALDH1A1
SCHEMBL21105376 0.81 KMT2A (0.70) ARMAPTKMT2AMEN1ALDH1A1
SCHEMBL686171 0.81 AR (0.84) ARMAPTKMT2AMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10980785-B2 Method for treating obesity, diabetes, cardiovascular and kidney diseases by regulating GPR30/GPER activity UNM RAINFOREST INNOVATIONS (US) 2021-04-20 US disclosed
US-10682341-B2 Method for treating obesity, diabetes, cardiovascular and kidney diseases by regulating GPR30/GPER activity STC.UNM (US) 2020-06-16 US disclosed
US-20200113875-A1 METHOD FOR TREATING OBESITY, DIABETES, CARDIOVASCULAR AND KIDNEY DISEASES BY REGULATING GPR30/GPER ACTIVITY UNM RAINFOREST INNOVATIONS 2020-04-16 US disclosed
US-10471047-B2 Method for treating obesity, diabetes, cardiovascular and kidney diseases by regulating GPR30/GPER activity STC.UNM (US) 2019-11-12 US disclosed
US-20190160047-A1 METHOD FOR TREATING OBESITY, DIABETES, CARDIOVASCULAR AND KIDNEY DISEASES BY REGULATING GPR30/GPER ACTIVITY UNM RAINFOREST INNOVATIONS 2019-05-30 US disclosed
US-10251870-B2 Method for treating obesity, diabetes, cardiovascular and kidney diseases by regulating GPR30/GPER activity STC.UNM (US) 2019-04-09 US disclosed
US-20180055826-A1 METHOD FOR TREATING OBESITY, DIABETES, CARDIOVASCULAR AND KIDNEY DISEASES BY REGULATING GPR30/GPER ACTIVITY UNM RAINFOREST INNOVATIONS 2018-03-01 US disclosed
WO-2016144647-A1 METHOD FOR TREATING OBESITY, DIABETES, CARDIOVASCULAR AND KIDNEY DISEASES BY REGULATING GPR30/GPER ACTIVITY STC.UNM (US) 2016-09-15 WO disclosed
US-8487100-B2 Compounds for binding to ER alpha/beta and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof STC.UNM (US) 2013-07-16 US disclosed
US-8487100-B2 Compounds for binding to ER alpha/beta and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof STC.UNM (US) 2013-07-16 US disclosed
US-20110092533-A1 COMPOUNDS FOR BINDING TO ER ALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF STC. UNM (US) 2011-04-21 US disclosed
US-20110092533-A1 COMPOUNDS FOR BINDING TO ER ALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF STC. UNM (US) 2011-04-21 US disclosed
US-7875721-B2 Modulators of estrogen receptor alpha/beta G protein-coupled receptor 30, e.g., 1-(4-(6-Bromo-benzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)1-ethanone; treating diseases such as cancer, neurodegenerative disorders, obesity, osteoporosis, and symptoms of menopause STC.UNM (US) 2011-01-25 US disclosed
US-7875721-B2 Modulators of estrogen receptor alpha/beta G protein-coupled receptor 30, e.g., 1-(4-(6-Bromo-benzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)1-ethanone; treating diseases such as cancer, neurodegenerative disorders, obesity, osteoporosis, and symptoms of menopause STC.UNM (US) 2011-01-25 US disclosed
US-7875721-B2 Modulators of estrogen receptor alpha/beta G protein-coupled receptor 30, e.g., 1-(4-(6-Bromo-benzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)1-ethanone; treating diseases such as cancer, neurodegenerative disorders, obesity, osteoporosis, and symptoms of menopause STC.UNM (US) 2011-01-25 US disclosed
US-20080167334-A1 Compounds for binding to ERalpha/beta and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof ARROWHEAD CENTER, INC. 2008-07-10 US disclosed
US-20080167334-A1 Compounds for binding to ERalpha/beta and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof ARROWHEAD CENTER, INC. 2008-07-10 US disclosed
US-20080167334-A1 Compounds for binding to ERalpha/beta and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof ARROWHEAD CENTER, INC. 2008-07-10 US disclosed
WO-2007019180-A2 COMPOUNDS FOR BINDING TO ERALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2007-02-15 WO disclosed
WO-2007019180-A2 COMPOUNDS FOR BINDING TO ERALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2007-02-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10682341-B2 Method for treating obesity, diabetes, cardiovascular and kidney diseases by regulating GPR30/GPER activity GPER1, NOX4, GPR119 AR 224/4885MAPT 4718/4885KMT2A 3431/4885
US-20190160047-A1 METHOD FOR TREATING OBESITY, DIABETES, CARDIOVASCULAR AND KIDNEY DISEASES BY REGULATING GPR30/GPER ACTIVITY GPER1, NOX4, GPR119 AR 224/4885MAPT 4718/4885KMT2A 3431/4885
US-20180055826-A1 METHOD FOR TREATING OBESITY, DIABETES, CARDIOVASCULAR AND KIDNEY DISEASES BY REGULATING GPR30/GPER ACTIVITY GPER1, NOX4, GPR119 AR 224/4885MAPT 4718/4885KMT2A 3431/4885
US-10980785-B2 Method for treating obesity, diabetes, cardiovascular and kidney diseases by regulating GPR30/GPER activity GPER1, NOX4, GPR119 AR 224/4885MAPT 4718/4885KMT2A 3431/4885
US-20110092533-A1 COMPOUNDS FOR BINDING TO ER ALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF GPER1, ESR2, ESRRG AR 49/4885MAPT 1322/4885KMT2A 4342/4885
US-20080167334-A1 Compounds for binding to ERalpha/beta and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof GPER1, ESR2, ESRRG AR 56/4885MAPT 1807/4885KMT2A 4138/4885
US-10251870-B2 Method for treating obesity, diabetes, cardiovascular and kidney diseases by regulating GPR30/GPER activity GPER1, NOX4, GPR119 AR 224/4885MAPT 4718/4885KMT2A 3431/4885
US-10471047-B2 Method for treating obesity, diabetes, cardiovascular and kidney diseases by regulating GPR30/GPER activity GPER1, NOX4, GPR119 AR 224/4885MAPT 4718/4885KMT2A 3431/4885
US-20200113875-A1 METHOD FOR TREATING OBESITY, DIABETES, CARDIOVASCULAR AND KIDNEY DISEASES BY REGULATING GPR30/GPER ACTIVITY GPER1, NOX4, GPR119 AR 224/4885MAPT 4718/4885KMT2A 3431/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.