SCHEMBL6175331

SCHEMBL6175331

Cc1ccc(C(C)C)c2ccc(C=O)nc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.44
GPR55 Q9Y2T6 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
CNR2 P34972 1/20 0.33
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ELANE P08246 2/20 0.30

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
SCHEMBL6176944 0.83 CCR1 (0.54) CCR1LMNAGAAMAPK1ALDH1A1
SCHEMBL6177454 0.70 CCR1 (0.57) CCR1LMNAALDH1A1
SCHEMBL6177890 0.70 LMNA (0.63) CCR1LMNAGAAMAPK1RARA
SCHEMBL6177928 0.68 CCR1 (0.65) CCR1LMNAGAAMAPK1ALDH1A1
SCHEMBL28933365 0.68 CCR1 (0.45) CCR1LMNAALDH1A1
SCHEMBL6176904 0.67 CCR1 (0.63) CCR1LMNAALDH1A1ELANE
SCHEMBL3121559 0.67 GPR55 (0.41) GPR55CNR2ALDH1A1
SCHEMBL1781881 0.67 GAA (0.69) CCR1LMNAGAAMAPK1ALDH1A1
SCHEMBL6629423 0.67 CCR1 (0.50) CCR1ALDH1A1
SCHEMBL10141896 0.66 MEN1 (0.54) CCR1GPR55LMNAMAPK1

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 CCR1 307/4885GPR55 1961/4885LMNA 944/4885
US-20030144276-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG CCR1 319/4885GPR55 2041/4885LMNA 1067/4885
US-20020032202-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG CCR1 319/4885GPR55 2041/4885LMNA 1067/4885

“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.