SCHEMBL2114819

SCHEMBL2114819

NC(=O)c1ccc(-c2ccc(O)cc2)c(O)c1-c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.46
▸ MMP2 P08253 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ BCAT2 O15382 1/20 0.40
▸ USP7 Q93009 3/20 0.40
▸ PREP P48147 2/20 0.40
▸ SENP1 Q9P0U3 2/20 0.40
▸ CELA1 Q9UNI1 1/20 0.40
▸ FYN P06241 1/20 0.39
▸ PEPD P12955 1/20 0.38
▸ ESR1 P03372 4/20 0.38
▸ ESR2 Q92731 3/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ MGAM O43451 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38
▸ HSD17B1 P14061 1/20 0.38
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36

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
SCHEMBL7064896 0.86 ESR1 (0.43) HSD17B10MMP2MMP3PREPSENP1
SCHEMBL2114962 0.80 BCAT2 (0.52) HSD17B10MMP2MMP3BCAT2USP7
SCHEMBL1892489 0.78 HNF4A (0.55) HSD17B10MMP2MMP3BCAT2FYN
SCHEMBL3805560 0.77 USP7 (0.48) HSD17B10MMP2MMP3BCAT2USP7
SCHEMBL3661535 0.77 BCAT2 (0.42) HSD17B10BCAT2KEAP1NFE2L2
SCHEMBL29438199 0.77 BCAT2 (0.42) HSD17B10BCAT2KEAP1NFE2L2
SCHEMBL15779321 0.77 HSD17B10 (0.53) HSD17B10MMP2MMP3BCAT2USP7
SCHEMBL4750554 0.76 DGAT1 (0.41) HSD17B10MMP2MMP3PREPSENP1
SCHEMBL27707211 0.75 SENP1 (0.46) MMP2MMP3USP7PREPSENP1
SCHEMBL28308128 0.75 PREP (0.38) USP7PREPSENP1CELA1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102702013-B Nuclear receptor binding agents GTX INC. (US) 2016-02-10 — — CN 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
CN-102702013-B Nuclear receptor binding agents GTX INC. (US) 2016-02-10 — — CN disclosed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 — — US disclosed
CN-102351732-B Nuclear receptor binding agents GTX INC. (US) 2014-10-29 — — CN 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 HSD17B10 331/4885MMP2 3247/4885MMP3 2415/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 HSD17B10 639/4885MMP2 4442/4885MMP3 2884/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 HSD17B10 639/4885MMP2 4442/4885MMP3 2884/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 HSD17B10 639/4885MMP2 4442/4885MMP3 2884/4885

“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.

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