SCHEMBL2113520

SCHEMBL2113520

COc1ccc(C(=O)N(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.71
HPGD P15428 1/20 0.71
KMT2A Q03164 4/20 0.58
CES2 O00748 2/20 0.58
CES1 P23141 2/20 0.58
TRPM8 Q7Z2W7 1/20 0.55
TSHR P16473 2/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
HSD17B1 P14061 1/20 0.52
HSD17B2 P37059 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
NPSR1 Q6W5P4 1/20 0.51
NR3C2 P08235 1/20 0.51
MEN1 O00255 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRL1 P41146 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ALDH1A1 P00352 2/20 0.49

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
SCHEMBL2111928 0.98 KDM4E (0.73) KDM4EHPGDKMT2ACES2CES1
SCHEMBL2112561 0.97 KDM4E (0.66) KDM4EHPGDKMT2ACES2CES1
SCHEMBL2112872 0.95 KDM4E (0.63) KDM4EHPGDKMT2ACES2CES1
SCHEMBL11874843 0.94 KDM4E (0.63) KDM4EHPGDKMT2ACES2CES1
SCHEMBL2112462 0.93 KDM4E (0.59) KDM4EHPGDKMT2ACES2CES1
SCHEMBL2112170 0.89 HSD17B2 (0.64) KDM4EHPGDKMT2ACES2CES1
SCHEMBL2112987 0.89 KDM4E (0.57) KDM4EHPGDKMT2ACES2CES1
SCHEMBL6300805 0.88 HSD17B2 (0.59) KDM4EHPGDKMT2ACES2CES1
SCHEMBL12648779 0.88 HPGD (0.54) KDM4EHPGDCES2CES1TSHR
SCHEMBL11874722 0.87 RAB9A (0.59) KDM4EHPGDNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US claimed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US claimed
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-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-8637706-B2 Nuclear receptor binding agents GTX, INC. (US) 2014-01-28 US disclosed
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2012-06-21 US disclosed
EP-2455362-A1 Nuclear receptor binding agents GTX, Inc. (US) 2012-05-23 EP disclosed
US-8158828-B2 Nuclear receptor binding agents GTX, INC. (US) 2012-04-17 US 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 (4 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-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF ESRRB, ESRRA, ESR2 KDM4E 3063/4885HPGD 836/4885KMT2A 2272/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 KDM4E 1462/4885HPGD 1070/4885KMT2A 1506/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 KDM4E 1462/4885HPGD 1070/4885KMT2A 1506/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 KDM4E 1462/4885HPGD 1070/4885KMT2A 1506/4885

“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.