SCHEMBL916037

SCHEMBL916037

O=C(O)CNNc1ccc(C#Cc2ccc3c(c2)C2C=CCC2C(C2=COC(c4ccccc4Br)O2)N3)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
PABPC1 P11940 1/20 0.37
PLK1 P53350 1/20 0.37
AR P10275 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 3/20 0.34
HSPA1A P0DMV8 2/20 0.34
PTPN7 P35236 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
PLA2G1B P04054 1/20 0.34
GAPDH P04406 1/20 0.34
MIF P14174 1/20 0.34
BLM P54132 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
GPER1 Q99527 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GPR183 P32249 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL917264 0.89 ESR1 (0.37) ESR1PABPC1PLK1ARMEN1
SCHEMBL916034 0.81 GPER1 (0.56) ESR1PABPC1PLK1ARMEN1
SCHEMBL916392 0.73 MAPT (0.54) ARMEN1KMT2APOLBHSPA1A
SCHEMBL916447 0.71 MAPT (0.43) ARMEN1KMT2APOLBTDP1
SCHEMBL916776 0.71 MAPT (0.44) ARMEN1KMT2APOLBTDP1
SCHEMBL12722292 0.70 GPER1 (0.58) ESR1PABPC1PLK1ARMEN1
SCHEMBL916069 0.69 AR (0.38) ARMEN1KMT2APOLBHSPA1A
SCHEMBL5331278 0.69 BCL2L1 (0.38) ESR1PABPC1PLK1ARMEN1
SCHEMBL917263 0.69 GPER1 (0.57) ESR1PABPC1PLK1ARMEN1
SCHEMBL15107073 0.69 GPER1 (0.60) ESR1PABPC1PLK1ARMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 ESR1 5/4885PABPC1 4431/4885PLK1 3153/4885
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 ESR1 4/4885PABPC1 4349/4885PLK1 3085/4885

“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.