SCHEMBL915780

SCHEMBL915780

O=Cc1cc2c(cc1-c1ccccc1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.48
PTGS1 P23219 2/20 0.48
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1B1 Q16678 1/20 0.44
MAPT P10636 2/20 0.40
ALOX5 P09917 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL29693292 1.00 PTGS2 (0.48) PTGS2PTGS1LMNAHPGDTDP1
SCHEMBL1960131 0.83 LMNA (0.45) PTGS2PTGS1LMNAHPGDTDP1
SCHEMBL5723333 0.80 LMNA (0.45) PTGS2PTGS1LMNAHPGDTDP1
SCHEMBL20101689 0.79 LMNA (0.52) PTGS2LMNAHPGDALDH1A1KMT2A
SCHEMBL31717974 0.79 KMT2A (0.50) PTGS2LMNATDP1ALDH1A1KMT2A
SCHEMBL6139521 0.79 PTGS2 (0.69) PTGS2PTGS1LMNAHPGDERN1
SCHEMBL14070022 0.77 LMNA (0.64) LMNAHPGDTDP1ALDH1A1KMT2A
SCHEMBL19153574 0.75 PTPRC (0.56) PTGS2PTGS1LMNAHPGDTDP1
SCHEMBL12722842 0.73 PTGS2 (0.48) PTGS2PTGS1HPGDALDH1A1CYP1A2
SCHEMBL1664233 0.72 TP53 (0.48) PTGS2PTGS1ALDH1A1CYP1A2KMT2A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773354-B Simple synthesis method of Trisphaeridine 武汉理工大学 2023-03-24 CN claimed
CN-114773354-A Simple synthesis method of Trisphaeridine 武汉理工大学 2022-07-22 CN claimed
CN-116003320-A Preparation method of phenanthridine compound 武汉理工大学深圳研究院 2023-04-25 CN disclosed
CN-114773354-B Simple synthesis method of Trisphaeridine 武汉理工大学 2023-03-24 CN disclosed
CN-114773354-B Simple synthesis method of Trisphaeridine 武汉理工大学 2023-03-24 CN disclosed
CN-114773354-A Simple synthesis method of Trisphaeridine 武汉理工大学 2022-07-22 CN 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-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-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 (2 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-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 PTGS2 1198/4885PTGS1 655/4885LMNA 2955/4885
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 PTGS2 1322/4885PTGS1 766/4885LMNA 3134/4885

“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.