SCHEMBL5224960

SCHEMBL5224960

CCCCc1cc2cc(C=O)ccc2o1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.42
ALOX15 P16050 1/20 0.42
TLR8 Q9NR97 2/20 0.40
MAPT P10636 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
STS P08842 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ALDH3A1 P30838 1/20 0.34
ALDH1A3 P47895 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
SCHEMBL5228104 0.79 SRC (0.40) ALOX15TLR8MAPTF2F10
SCHEMBL147059 0.78 CYP2A6 (0.47) CYP2A6CHRM2CHRM4CHRM5CHRM1
SCHEMBL8133718 0.78 CYP2A6 (0.47) CYP2A6CHRM2CHRM4CHRM5CHRM1
SCHEMBL12370192 0.78 TLR8 (0.44) ALOX15TLR8MAPTF2F10
SCHEMBL2331524 0.76 KMT2A (0.55) ALOX15TLR8MAPTF2F10
SCHEMBL284155 0.76 TLR8 (0.50) ALOX15TLR8MAPTF2F10
SCHEMBL2333763 0.76 CYP19A1 (0.47) CYP2A6ALOX15TLR8MAPTF2
SCHEMBL2330441 0.76 ALOX15 (0.58) ALOX15TLR8F2F10MAOA
SCHEMBL2327940 0.76 TLR8 (0.43) ALOX15TLR8MAPTCHRM2CHRM4
SCHEMBL2326095 0.76 TLR8 (0.43) ALOX15TLR8MAPTF2F10

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-1315710-B1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-04-25 EP disclosed
US-7148240-B2 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method for preparing same and compositions containing same SANOFI-AVENTIS (FR) 2006-12-12 US disclosed
US-20040010011-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method for preparing same and compositions containing same SANOFI (FR) 2004-01-15 US disclosed
EP-1315710-A1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2003-06-04 EP disclosed
WO-2002016340-A1 AMINOALKOXYBENZOYL-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-20040010011-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method for preparing same and compositions containing same ABAT, TNNT2, BCAT1 CYP2A6 114/4885ALOX15 135/4885TLR8 2355/4885

“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.