SCHEMBL6176149

SCHEMBL6176149

Cc1cc2cc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)ccc2n1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.45
RARB P10826 2/20 0.45
RARG P13631 2/20 0.45
PTGER4 P35408 1/20 0.38
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 1/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 3/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
NQO2 P16083 1/20 0.36
HCAR3 P49019 2/20 0.35
HCAR2 Q8TDS4 1/20 0.35
B3GNT2 Q9NY97 1/20 0.34
POLB P06746 3/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL6177729 0.80 RARA (0.44) RARARARBRARGPTGER4RXRA
SCHEMBL29342958 0.73 SLC22A12 (0.46) PTGER4HPGDKDM4EUSP2HSD17B10
SCHEMBL7620456 0.70 RARA (0.50) RARARARBRARGRXRARXRB
SCHEMBL7942455 0.70 CASP3 (0.53) RARARARBRARGNQO2CASP3
SCHEMBL7616335 0.69 RARA (0.55) RARARARBRARGRXRARXRB
SCHEMBL22004112 0.68 ACLY (0.57) RXRARXRBRXRG
SCHEMBL7618531 0.68 RARA (0.53) RARARARBRARGRXRARXRB
SCHEMBL7877815 0.67 HCAR3 (0.47) PTGER4RXRARXRBRXRGHPGD
SCHEMBL7618852 0.67 RARA (0.49) RARARARBRARGRXRARXRB
SCHEMBL6297902 0.67 RARA (0.46) RARARARBRARGNQO2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559709-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same Eisai Co., Ltd. (JP) 2005-08-03 EP disclosed
EP-0838453-B1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2005-04-27 EP disclosed
US-6884808-B2 Heterocycle-containing carboxylic acid derivative and drug containing the same EISAI CO. LTD. (JP) 2005-04-26 US disclosed
US-6630463-B2 Such as 4-(4-(2-(2-(5,6,7,8-tetrahydro-5,5,8,8 -tetramethylquinoxalyl))pyrrolyl))benzoic acid; for treatment of acute promyelocytic leukemia EISAI CO. LTD. (JP) 2003-10-07 US disclosed
US-20030144276-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same EISAI CO. LTD. 2003-07-31 US disclosed
US-6541474-B2 Administering a pharmaceutically effective dose of the heterocycle-containing carboxylic acid derivative or salt to a patient suffering form acute promyelocytic leukemia EISAI CO. LTD. (JP) 2003-04-01 US disclosed
US-20020103234-A1 Heterocycl-containing carboxylic acid derivative and drug containing the same EISAI CO. LTD. 2002-08-01 US disclosed
US-20020032202-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same EISAI CO. LTD. 2002-03-14 US disclosed
US-6329402-B1 FOR THERAPY OF ACUTE PROMYELOCYTIC LEUKEMIA EISAI CO., LTD. (JP) 2001-12-11 US disclosed
US-5977108-A LEUKEMIA EISAI CO., LTD (JP) 1999-11-02 US disclosed
EP-0838453-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 1998-04-29 EP 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-20020103234-A1 Heterocycl-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG RARA 1/4885RARB 2/4885RARG 3/4885
US-20030144276-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG RARA 1/4885RARB 2/4885RARG 3/4885
US-20020032202-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG RARA 1/4885RARB 2/4885RARG 3/4885

“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.