SCHEMBL2653650

SCHEMBL2653650

Cc1cccc(C(C)(C)[O])c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
ATM Q13315 1/20 0.46
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 1/20 0.36
CA2 P00918 2/20 0.36
MAPT P10636 2/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32

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
SCHEMBL2422395 0.81 TRPA1 (0.52) TRPA1ATMGABRA1GABRB2TSHR
SCHEMBL9065287 0.80 TRPA1 (0.50) TRPA1ATMGABRA1GABRB2TSHR
SCHEMBL9346599 0.80 TRPA1 (0.50) TRPA1ATMGABRA1GABRB2TSHR
SCHEMBL30660859 0.80 GABRA1 (0.60) TRPA1ATMGABRA1GABRB2TSHR
SCHEMBL5046947 0.80 TSHR (0.45) TRPA1ATMGABRA1GABRB2TSHR
SCHEMBL3167832 0.80 GABRA1 (0.60) TRPA1ATMGABRA1GABRB2TSHR
SCHEMBL2652817 0.80 TDP2 (0.36) TRPA1ATMTSHRCYP1A2CYP2A6
Ammonia Solution, Strong SCHEMBL27927923 0.79 TRPA1 (0.50) TRPA1ATMGABRA1GABRB2TSHR
SCHEMBL1483791 0.79 GABRA1 (0.48) TRPA1ATMGABRA1GABRB2TSHR
SCHEMBL472173 0.79 GABRA1 (0.48) TRPA1ATMGABRA1GABRB2TSHR

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
EP-1758859-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2013-07-17 EP claimed
US-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-05-29 US claimed
EP-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP claimed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO claimed

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-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR TRPA1 1112/4885ATM 4061/4885GABRA1 420/4885

“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.