SCHEMBL4596003

SCHEMBL4596003

COc1cc(CN2C(=O)C(=O)c3ccccc32)cc(OC)c1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.67
ALDH1A1 P00352 3/20 0.60
CHRM1 P11229 2/20 0.60
ALDH2 P05091 1/20 0.60
ALDH3A1 P30838 1/20 0.60
ACHE P22303 2/20 0.57
BCHE P06276 2/20 0.56
CES2 O00748 1/20 0.56
CHRM5 P08912 2/20 0.55
CHRM3 P20309 1/20 0.55
APAF1 O14727 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
ALOX12 P18054 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL4597149 0.79 TGM2 (0.61) CES1ALDH1A1CHRM1ALDH2ALDH3A1
SCHEMBL29460856 0.79 CASP3 (0.76) CES1ALDH1A1CHRM1ALDH2ALDH3A1
SCHEMBL2305451 0.79 CASP3 (0.76) CES1ALDH1A1CHRM1ALDH2ALDH3A1
SCHEMBL18974147 0.79 CES1 (0.69) CES1ALDH1A1CHRM1ALDH2ALDH3A1
SCHEMBL4597561 0.78 ALDH1A1 (0.74) CES1ALDH1A1CHRM1ALDH2ALDH3A1
SCHEMBL18288159 0.77 CES1 (0.90) CES1ALDH1A1CHRM1ALDH2ALDH3A1
SCHEMBL1465522 0.77 PRKAG1 (0.72) CES1BCHECES2TP53
SCHEMBL1445390 0.77 PRKAG1 (0.72) CES1BCHECES2TP53
SCHEMBL5424603 0.76 TP53 (0.60) CES1ALDH1A1CHRM1ALDH2ALDH3A1
SCHEMBL29506660 0.76 ALDH1A1 (1.00) CES1ALDH1A1CHRM1ALDH2ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008046083-A2 USE OF OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed
EP-1877378-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-01-16 EP disclosed
US-20070105820-A1 Oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2007-05-10 US disclosed
WO-2006113864-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-10-26 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-20070105820-A1 Oxindole compounds and their uses as therapeutic agents OPRL1, OPRK1, TRPV1 CES1 4183/4885ALDH1A1 1136/4885CHRM1 638/4885

“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.