SCHEMBL2115638

SCHEMBL2115638

Cc1cccc(C(=O)N(c2ccc(O)cc2)c2ccc(O)cc2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 1.00
ESR2 Q92731 8/20 1.00
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MT-CO2 P00403 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
TRPA1 O75762 2/20 0.38
ATM Q13315 1/20 0.38
AKR1B10 O60218 1/20 0.37
ABCB11 O95342 1/20 0.37
DHFR P00374 1/20 0.37

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
SCHEMBL15290442 0.95 ESR1 (0.91) ESR1ESR2HSD17B10KDM4EALDH1A1
SCHEMBL15490712 0.93 ESR1 (0.86) ESR1ESR2HSD17B10KDM4EALDH1A1
SCHEMBL9067488 0.86 ESR1 (0.76) ESR1ESR2HSD17B10KDM4EALDH1A1
SCHEMBL14822008 0.84 ESR1 (0.72) ESR1ESR2HSD17B10KDM4EALDH1A1
SCHEMBL2406793 0.84 ESR1 (1.00) ESR1ESR2KDM4ELMNANPC1
SCHEMBL16589776 0.80 ESR1 (0.67) ESR1ESR2HSD17B10KDM4EALDH1A1
SCHEMBL1810392 0.74 ESR1 (0.59) ESR1ESR2HSD17B10KDM4EALDH1A1
SCHEMBL15290443 0.74 ESR1 (0.58) ESR1ESR2HSD17B10KDM4EALDH1A1
SCHEMBL9361049 0.74 ESR1 (0.58) ESR1ESR2HSD17B10KDM4EALDH1A1
SCHEMBL2113799 0.73 ESR1 (0.58) ESR1ESR2ALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008130571-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-10-30 WO claimed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 US claimed
US-9624161-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2017-04-18 US disclosed
US-9624161-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2017-04-18 US disclosed
US-9427418-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-30 US disclosed
US-9427418-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-30 US disclosed
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US disclosed
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US disclosed
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US disclosed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US disclosed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US disclosed
US-20120077845-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2012-03-29 US disclosed
US-20120077845-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2012-03-29 US disclosed
WO-2011106317-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. (US) 2011-09-01 WO disclosed
US-20100267773-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2010-10-21 US disclosed
US-20100267773-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2010-10-21 US disclosed
WO-2010096801-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. (US) 2010-08-26 WO disclosed
US-20090062341-A1 Nuclear receptor binding agents GTX, INC 2009-03-05 US disclosed
WO-2008130571-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-10-30 WO disclosed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 US 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 (5 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-20120077845-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GNRHR, LHCGR, SHBG ESR1 21/4885ESR2 15/4885HSD17B10 232/4885
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF ESRRB, ESRRA, ESR2 ESR1 7/4885ESR2 3/4885HSD17B10 331/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885HSD17B10 639/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885HSD17B10 639/4885
US-20100267773-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF SHBG, GNRHR, FSHR ESR1 10/4885ESR2 9/4885HSD17B10 421/4885

“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.