SCHEMBL6177816

SCHEMBL6177816

CC(C)N1CCOc2cc(C=O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A3 P47895 6/20 0.42
ALDH3A1 P30838 1/20 0.42
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TYR P14679 1/20 0.33
NOTUM Q6P988 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MYC P01106 1/20 0.32
HTT P42858 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL21383311 0.90 ALDH1A1 (0.44) ALDH1A1TDP1HSD17B10ALDH1A3ALDH3A1
SCHEMBL30186040 0.80 ALDH1A1 (0.53) ALDH1A1TDP1HSD17B10ALDH1A3ALDH3A1
SCHEMBL1418463 0.80 ALDH1A1 (0.53) ALDH1A1TDP1HSD17B10ALDH1A3ALDH3A1
SCHEMBL6177638 0.79 ALDH1A1 (0.49) ALDH1A1ALDH1A3ALDH3A1MAPTHPGD
SCHEMBL14376017 0.78 PIK3CB (0.38) ALDH1A1TDP1HSD17B10MAPTMEN1
SCHEMBL23903579 0.77 PIK3CA (0.40) MAPT
SCHEMBL14349188 0.77 TDP1 (0.41) TDP1NOTUMKDM4ECYP11B1CYP11B2
SCHEMBL17169807 0.77 RIPK1 (0.40) ALDH1A1HTTCYP11B1CYP11B2
SCHEMBL14349388 0.77 LMNA (0.42) TDP1MAPTNOTUMKDM4EHTT
SCHEMBL9427637 0.77 MAPT (0.41) ALDH1A1TDP1MAPTMEN1GAA

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 44/4885TDP1 3576/4885HSD17B10 113/4885
US-20030144276-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG ALDH1A1 37/4885TDP1 3555/4885HSD17B10 101/4885
US-20020032202-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG ALDH1A1 37/4885TDP1 3555/4885HSD17B10 101/4885

“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.