SCHEMBL6177638

SCHEMBL6177638

CC(C)N1CCN(C(C)C)c2cc(C=O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
ALDH1A3 P47895 7/20 0.49
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH3A1 P30838 1/20 0.42
TYR P14679 1/20 0.39
TSHR P16473 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
CYP2A6 P11509 2/20 0.36
KDM4E B2RXH2 2/20 0.35
PTGS2 P35354 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6177820 0.80 ALDH1A1 (0.66) ALDH1A1ALDH1A3MAPTMEN1GAA
SCHEMBL6177816 0.79 ALDH1A1 (0.42) ALDH1A1ALDH1A3MAPTMEN1GAA
SCHEMBL21383311 0.77 ALDH1A1 (0.44) ALDH1A1ALDH1A3MAPTMEN1GAA
SCHEMBL5483816 0.75 ALDH1A1 (0.44) ALDH1A1ALDH1A3MAPTHPGDTSHR
SCHEMBL5494480 0.75 HSD17B10 (0.37) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL9141312 0.71 ALDH1A1 (0.64) ALDH1A1ALDH1A3MAPTMEN1GAA
SCHEMBL7666880 0.68 NR4A1 (0.41)
SCHEMBL7666868 0.68 NR4A1 (0.41)
SCHEMBL7666875 0.68 NR4A1 (0.41)
SCHEMBL4737854 0.68 ALDH1A1 (0.46) ALDH1A1ALDH1A3MAPTMEN1GAA

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 ALDH1A1 44/4885ALDH1A3 40/4885MAPT 4687/4885
US-20030144276-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG ALDH1A1 37/4885ALDH1A3 32/4885MAPT 4651/4885
US-20020032202-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG ALDH1A1 37/4885ALDH1A3 32/4885MAPT 4651/4885

“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.