SCHEMBL7019419

SCHEMBL7019419

CCCc1cc(-c2ccccc2)ccc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DCLRE1B Q9H816 3/20 0.66
DCLRE1A Q6PJP8 1/20 0.66
ACMSD Q8TDX5 3/20 0.54
HNF4A P41235 2/20 0.54
MCL1 Q07820 2/20 0.53
ACLY P53396 2/20 0.50
DHFR P00374 1/20 0.50
PTPN1 P18031 2/20 0.49
PTPN2 P17706 1/20 0.49
PTPN6 P29350 1/20 0.49
RARB P10826 3/20 0.48
RARA P10276 1/20 0.48
RARG P13631 1/20 0.48
SGK1 O00141 1/20 0.47
CAMKK2 Q96RR4 1/20 0.47
HSD17B1 P14061 1/20 0.45

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
SCHEMBL27510448 0.89 HSD17B1 (0.59) DCLRE1BDCLRE1AACMSDHNF4AMCL1
SCHEMBL10397478 0.88 DCLRE1B (0.72) DCLRE1BDCLRE1AACMSDHNF4AMCL1
SCHEMBL22958807 0.84 NR4A2 (0.50) DCLRE1BDCLRE1AACLY
SCHEMBL26679439 0.81 DCLRE1B (0.62) DCLRE1BDCLRE1AACMSDHNF4AMCL1
SCHEMBL13681701 0.80 DCLRE1B (0.66) DCLRE1BDCLRE1AACMSDHNF4AMCL1
SCHEMBL2770912 0.80 DCLRE1B (0.59) DCLRE1BDCLRE1AACMSDHNF4AMCL1
SCHEMBL11296003 0.79 DCLRE1B (0.70) DCLRE1BDCLRE1AACMSDHNF4AMCL1
SCHEMBL455218 0.79 DCLRE1A (0.42) DCLRE1BDCLRE1AMCL1HSD17B1
SCHEMBL80902 0.79 RXRA (0.52) MCL1PTPN1RARB
SCHEMBL241263 0.78 FOLH1 (0.66)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6642223-B2 A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
EP-0765314-B1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMA CO LTD (JP) 2003-05-07 EP disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 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 (1 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-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B DCLRE1B 4209/4885DCLRE1A 3347/4885ACMSD 1012/4885

“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.