SCHEMBL3538428

SCHEMBL3538428

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.43
GRM5 P41594 5/20 0.33
AR P10275 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
SLC7A5 Q01650 1/20 0.31

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
SCHEMBL3353809 0.79 KDM6B (0.37) EPHX2GRM5ALDH1A1
SCHEMBL3353814 0.79 KDM6B (0.37) EPHX2GRM5ALDH1A1
SCHEMBL4497890 0.76 CREBBP (0.39) EPHX2GRM5ALDH1A1HPGD
SCHEMBL4497895 0.74 SYK (0.35) EPHX2GRM5ALDH1A1
SCHEMBL4497897 0.74 SYK (0.35) EPHX2GRM5ALDH1A1
SCHEMBL4509518 0.74 ACACB (0.42)
SCHEMBL1286119 0.73 THRA (0.36) EPHX2GRM5ALDH1A1MAPTHPGD
SCHEMBL3353299 0.71 GRM5 (0.34) EPHX2GRM5ALDH1A1
SCHEMBL4585945 0.71 OPRK1 (0.32) GRM5
SCHEMBL11641867 0.70 ESR1 (0.44) ALDH1A1MAPTHPGDSLC7A5

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-7834007-B2 CGRP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-16 US disclosed
US-20070049577-A1 CGRP antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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-20070049577-A1 CGRP antagonists CALCRL, CALCR, CALCA EPHX2 2085/4885GRM5 365/4885AR 706/4885

“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.