SCHEMBL3243262

SCHEMBL3243262

CCCCc1oc2ccc(C(=O)O)cc2c1C(=O)c1ccc(CCN(CCCC)CCCC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.56
PGR P06401 1/20 0.56
CHRM2 P08172 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD1 P21728 1/20 0.56
TBXA2R P21731 1/20 0.56
SLC6A2 P23975 1/20 0.56
PDE4A P27815 1/20 0.56
SLC6A4 P31645 1/20 0.56
ADRA1A P35348 1/20 0.56
OPRM1 P35372 1/20 0.56
DRD3 P35462 1/20 0.56
SLC6A3 Q01959 1/20 0.56
KCNH2 Q12809 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
ABCB11 O95342 1/20 0.55
KCNA5 P22460 1/20 0.55

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
SCHEMBL3252689 0.96 ESR1 (0.56) ESR1PGRCHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL6139779 0.95 ABCB11 (0.56) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL3251883 0.95 ESR1 (0.55) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL3251890 0.90 ESR1 (0.51) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL6139444 0.89 ESR1 (0.58) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL3255574 0.88 NR1H4 (0.56) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL3249070 0.88 NR1H4 (0.54) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL3256165 0.87 NR1H4 (0.56) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL3247956 0.87 NR1H4 (0.56) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL3249884 0.87 NR1H4 (0.58) ESR1PGRCHRM2HTR1AADRA2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315709-B1 AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2010-05-26 EP disclosed
US-6949583-B2 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method of preparing same and compositions containing same SANOFI-SYNTHELABO (FR) 2005-09-27 US disclosed
US-20030225100-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method of preparing same and compositions containing same SANOFI (FR) 2003-12-04 US disclosed
EP-1315709-A1 AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2003-06-04 EP disclosed
WO-2002016339-A1 AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-02-28 WO 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 (1 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-20030225100-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method of preparing same and compositions containing same NR2C2, NR4A2, NR5A2 ESR1 33/4885PGR 31/4885CHRM2 367/4885

“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.