SCHEMBL4497895

SCHEMBL4497895

Cc1cc(CC(C)(O)C(=O)O)cc2oc(=O)[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.35
EPHX2 P34913 4/20 0.34
GRM5 P41594 4/20 0.33
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
CREBBP Q92793 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
DGAT1 O75907 1/20 0.30

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
SCHEMBL4497897 1.00 SYK (0.35) SYKEPHX2GRM5NOS1NOS3
SCHEMBL1286119 0.80 THRA (0.36) SYKEPHX2GRM5NOS1NOS3
SCHEMBL3353814 0.76 KDM6B (0.37) SYKEPHX2GRM5NOS1NOS3
SCHEMBL3538428 0.74 EPHX2 (0.43) EPHX2GRM5ALDH1A1
SCHEMBL4501888 0.74 ACACB (0.41) KDM4EALDH1A1
SCHEMBL4509035 0.74 ACACB (0.41) KDM4EALDH1A1
SCHEMBL1286048 0.72 TTR (0.41) SYKEPHX2GRM5NOS1NOS3
SCHEMBL2163990 0.71 MCL1 (0.40) KDM4EALDH1A1
SCHEMBL2163986 0.71 MCL1 (0.40) KDM4EALDH1A1
SCHEMBL2165251 0.71 POLB (0.39) KDM4EALDH1A1

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-7528129-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-05 US disclosed
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 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-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA SYK 4219/4885EPHX2 1825/4885GRM5 697/4885

“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.