SCHEMBL6178912

SCHEMBL6178912

CN1CCC(C)(C)c2cc(C=O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
RARB P10826 6/20 0.45
RARA P10276 5/20 0.45
ALDH1A3 P47895 6/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
ALDH3A1 P30838 1/20 0.39
RARG P13631 4/20 0.36
CYP2A6 P11509 2/20 0.36
GFER P55789 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RXRA P19793 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
SCHEMBL6177361 0.91 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL8293242 0.78 RARA (0.48) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL9141312 0.77 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL8699677 0.77 RARA (0.44) ALDH1A1MAPTKMT2AHPGDRARB
SCHEMBL17675356 0.77 RARB (0.44) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL8776409 0.77 RARB (0.52) ALDH1A1RARBRARASMN1; SMN2RARG
SCHEMBL7665323 0.76 RARA (0.50) ALDH1A1RARBRARASMN1; SMN2RARG
SCHEMBL7665318 0.76 RARA (0.50) ALDH1A1RARBRARASMN1; SMN2RARG
SCHEMBL7665311 0.76 RARA (0.50) ALDH1A1RARBRARASMN1; SMN2RARG
SCHEMBL3838099 0.75 RARB (0.57) ALDH1A1RARBRARASMN1; SMN2RARG

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 17 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-6420363-B1 Mono- or polyenic carboxylic acid derivatives EISAI CO., LTD. (JP) 2002-07-16 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-6291508-B1 POTENT ABILITY TO BIND TO RETINOIC ACID RECEPTORS THUS USEFUL IN TREATING PSORIASIS AND RHEUMATOID ARTHRITIS. EISAI CO., LTD. (JP) 2001-09-18 US disclosed
US-6133283-A Mono- or polyenic carboxylic acid derivatives EISAI CO., LTD. (JP) 2000-10-17 US disclosed
US-6030964-A BINDS TO RETINOIC ACID RECEPTORS AND USEFUL FOR TREATING PSORIASIS, AUTOIMMUNE DISEASES, TUMORS, RHEUMATOID ARTHRITIS AND FOR INDUCING IMMUNOSUPPRESSION IN ORGAN TRANSPLANTATION EISAI CO., LTD. (JP) 2000-02-29 US disclosed
US-5977125-A Mono-or polyenic carboxylic acid derivatives EISAI CO., LTD. (JP) 1999-11-02 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
EP-0790228-A1 MONO- OR POLYENIC CARBOXYLIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1997-08-20 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 ALDH1A1 44/4885MAPT 4687/4885MEN1 2439/4885
US-20030144276-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG ALDH1A1 37/4885MAPT 4651/4885MEN1 2431/4885
US-20020032202-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG ALDH1A1 37/4885MAPT 4651/4885MEN1 2431/4885

“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.