SCHEMBL6177930

SCHEMBL6177930

COC(=O)c1cc(OC)c2cccc(C(C)C)c2n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
LMNA P02545 2/20 0.42
GPR35 Q9HC97 1/20 0.42
LPAR1 Q92633 6/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
APP P05067 1/20 0.39
MAPK1 P28482 2/20 0.39
PTGER4 P35408 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL23809359 0.88 ALOX15 (0.59) ALOX15KCNK3KCNK9LMNAGPR35
SCHEMBL6175474 0.85 LMNA (0.56) LMNAKDM4EKMT2AGAAATM
SCHEMBL1811362 0.85 ALOX15 (0.50) ALOX15LMNAGPR35KDM4EGAA
SCHEMBL6177730 0.84 CTNNB1 (0.37) ALOX15KCNK3KCNK9LMNAKDM4E
SCHEMBL6177263 0.84 LMNA (0.48) LMNAKDM4EKMT2AGAAATM
SCHEMBL6177423 0.83 APP (0.37) KCNK3KCNK9LMNAKDM4EKMT2A
SCHEMBL1809520 0.81 ALOX15 (0.47) ALOX15LMNAGPR35KDM4EKMT2A
SCHEMBL1809185 0.78 PDK2 (0.49) ALOX15LMNAGPR35KDM4EKMT2A
SCHEMBL7697377 0.77 LMNA (0.48) KCNK3KCNK9LMNAKDM4EKMT2A
SCHEMBL6177510 0.76 KDM4E (0.45) KDM4EKMT2AGAAATMPTGER4

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 ALOX15 1229/4885KCNK3 4362/4885KCNK9 3244/4885
US-20030144276-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG ALOX15 1275/4885KCNK3 4364/4885KCNK9 3450/4885
US-20020032202-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG ALOX15 1275/4885KCNK3 4364/4885KCNK9 3450/4885

“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.