SCHEMBL2113120

SCHEMBL2113120

COc1cccc(N(C(=O)c2ccccc2)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 4/20 0.56
HSD17B1 P14061 3/20 0.56
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.52
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PARP1 P09874 1/20 0.50
NLRP3 Q96P20 1/20 0.50
PTGIR P43119 1/20 0.49
PTGDR Q13258 1/20 0.49
TRPM8 Q7Z2W7 2/20 0.48

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
SCHEMBL6300805 0.96 HSD17B2 (0.59) HSD17B2HSD17B1CES2CES1NPC1
SCHEMBL2112170 0.94 HSD17B2 (0.64) HSD17B2HSD17B1CES2CES1NPC1
SCHEMBL2113330 0.92 CES2 (0.59) HSD17B2HSD17B1CES2CES1NPC1
SCHEMBL6294664 0.92 NR3C2 (0.53) HSD17B2HSD17B1CES2CES1NPC1
SCHEMBL6295716 0.92 HSD17B2 (0.49) HSD17B2HSD17B1CES2CES1NPC1
SCHEMBL2113138 0.89 HSD17B2 (0.66) HSD17B2HSD17B1CES2CES1NPC1
SCHEMBL29275131 0.88 HSD17B2 (0.65) HSD17B2HSD17B1CES2CES1NPC1
SCHEMBL2113064 0.88 CES2 (0.54) HSD17B2HSD17B1CES2CES1NPC1
SCHEMBL29275127 0.87 AKR1C3 (0.54) HSD17B2HSD17B1NPC1KDM4ENR3C2
SCHEMBL2112619 0.87 HSD17B2 (0.50) HSD17B2HSD17B1CES2CES1NPC1

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 HSD17B2 193/4885HSD17B1 169/4885CES2 2413/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 HSD17B2 291/4885HSD17B1 244/4885CES2 3485/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 HSD17B2 291/4885HSD17B1 244/4885CES2 3485/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 HSD17B2 291/4885HSD17B1 244/4885CES2 3485/4885

“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.