SCHEMBL2114962

SCHEMBL2114962

NC(=O)c1cccc(-c2ccc(O)cc2)c1-c1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.52
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
PARP1 P09874 5/20 0.47
HNF4A P41235 1/20 0.44
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
PDK2 Q15119 1/20 0.42
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
AURKA O14965 1/20 0.39
USP7 Q93009 1/20 0.39
MMP9 P14780 1/20 0.38

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
SCHEMBL1892489 0.87 HNF4A (0.55) BCAT2KEAP1NFE2L2PARP1HNF4A
SCHEMBL16193827 0.86 ESR2 (0.42) BCAT2KEAP1NFE2L2PARP1HNF4A
SCHEMBL2025737 0.85 BCAT2 (0.71) BCAT2KEAP1NFE2L2PARP1HNF4A
SCHEMBL8714557 0.84 HNF4A (0.59) PARP1HNF4AHSD17B10ALDH1A1MAPT
Hydrochloric Acid SCHEMBL27966297 0.84 BCAT2 (0.69) BCAT2KEAP1NFE2L2PARP1HNF4A
SCHEMBL4085068 0.83 BCAT2 (0.74) BCAT2KEAP1NFE2L2PARP1HNF4A
SCHEMBL18317872 0.81 HNF4A (0.60) BCAT2KEAP1NFE2L2PARP1HNF4A
SCHEMBL7064896 0.81 ESR1 (0.43) PARP1HSD17B10KDM4EALDH1A1MAPT
SCHEMBL2114819 0.80 HSD17B10 (0.46) BCAT2KEAP1NFE2L2PARP1HSD17B10
Phosphoric Acid SCHEMBL3689008 0.79 BCAT2 (0.62) BCAT2KEAP1NFE2L2PARP1HNF4A

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 9 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 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
US-8158828-B2 Nuclear receptor binding agents GTX, INC. (US) 2012-04-17 US disclosed
WO-2008130571-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-10-30 WO disclosed
EP-1954670-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX Inc. (US) 2008-08-13 EP disclosed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 US disclosed
WO-2007062230-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2007-05-31 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 (3 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 BCAT2 3851/4885KEAP1 1570/4885NFE2L2 329/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 BCAT2 3750/4885KEAP1 1630/4885NFE2L2 193/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 BCAT2 3750/4885KEAP1 1630/4885NFE2L2 193/4885

“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.