SCHEMBL9944308

SCHEMBL9944308

COc1cccc(CO/N=C/C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
AGXT P21549 2/20 0.54
MAOB P27338 7/20 0.48
TAAR1 Q96RJ0 3/20 0.46
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
ABCB1 P08183 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
CMA1 P23946 1/20 0.43

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
SCHEMBL17219243 1.00 IDO1 (0.54) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL14748298 0.84 IDO1 (0.57) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL17219246 0.84 CHRM2 (0.47) MAOBCHRM2CHRM1CHRM3
SCHEMBL9945423 0.81 IDO1 (0.54) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL17218393 0.81 IDO1 (0.54) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL17217193 0.81 KIF11 (0.36) IDO1AGXT
SCHEMBL17217545 0.81 IDO1 (0.51) IDO1MAOBTAAR1
SCHEMBL17219637 0.81 CYP3A4 (0.51) IDO1AGXTMAOBTAAR1
SCHEMBL17216444 0.80 IDO1 (0.48) IDO1AGXTMAOBTAAR1
SCHEMBL17219072 0.80 IDO1 (0.53) IDO1AGXTMAOBTAAR1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772290-B2 Alpha-arylmethoxyacrylate derivative, preparation method thereof, and pharmaceutical composition containing same Oscotech Inc. (KR) 2014-07-08 US disclosed
US-20120149707-A1 ALPHA-ARYLMETHOXYACRYLATE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME OSCOTEC INC. (KR) 2012-06-14 US 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-20120149707-A1 ALPHA-ARYLMETHOXYACRYLATE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME HIF1A, HIF1AN, EGLN3 IDO1 1515/4885AGXT 1291/4885MAOB 2441/4885

“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.