SCHEMBL2965600

SCHEMBL2965600

CC(=O)Nc1ccc(C(=O)O)c2c1CCCO2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.46
KDM4E B2RXH2 4/20 0.46
CASP1 P29466 1/20 0.39
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 1/20 0.36
ADRA2A P08913 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
PARP14 Q460N5 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1435852 0.92 HSD17B10 (0.48) HSD17B10KDM4ECASP1ALDH1A1ALOX15
SCHEMBL5319541 0.86 KDM4E (0.41) HSD17B10KDM4EALDH1A1ALOX15NPC1
SCHEMBL13216300 0.84 ALDH1A1 (0.41) HSD17B10KDM4ECASP1ALDH1A1ALOX15
SCHEMBL7332522 0.83 KDM4E (0.40) HSD17B10KDM4EALDH1A1ALOX15NPC1
SCHEMBL9367664 0.82 SMN1; SMN2 (0.46) KDM4EALDH1A1ALOX15NPC1RAB9A
SCHEMBL7396214 0.81 KDM4E (0.47) HSD17B10KDM4ECASP1ALDH1A1ALOX15
SCHEMBL12811926 0.81 KDM4E (0.39) HSD17B10KDM4ECASP1ALDH1A1ALOX15
SCHEMBL7391414 0.79 RXRA (0.39) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL2964763 0.79 PARP1 (0.48) HSD17B10KDM4ECASP1ALDH1A1ALOX15
SCHEMBL1435901 0.78 SMN1; SMN2 (0.41) HSD17B10KDM4ECASP1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772267-B2 or other nuclear hormone receptors inhibitors; 4-(7-Hydroxy-1,3-dioxo-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile; age-related diseases: sarcopenia, muscular atrophy, lipodistrophy, long-term critical illness, chronic fatigue syndrome, bone fracture repair BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-7405234-B2 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 US disclosed
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 US disclosed
EP-1506178-A4 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-05-24 EP disclosed
EP-1506178-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
US-20040181064-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 US disclosed
US-20040019063-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-01-29 US disclosed
WO-2003096980-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-27 WO disclosed
EP-0625149-A1 BENZOPYRAN, BENZOTHIOPYRAN AND BENZOFURAN DERIVATIVES AS 5-HT4 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-11-23 EP disclosed
WO-1993016072-A1 BENZOPYRAN, BENZOTHIOPYRAN AND BENZOFURAN DERIVATIVES AS 5-HT4 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-08-19 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-20040019063-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA HSD17B10 116/4885KDM4E 1161/4885CASP1 4306/4885
US-20040181064-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA HSD17B10 133/4885KDM4E 1539/4885CASP1 4311/4885
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION AR, ESRRA, SHBG HSD17B10 209/4885KDM4E 1108/4885CASP1 4601/4885

“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.