SCHEMBL20132641

SCHEMBL20132641

CCn1cccc(-c2ccc3c(cnn3C)c2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.55
▸ CREBBP Q92793 2/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ AR P10275 5/20 0.45
▸ USP7 Q93009 1/20 0.43
▸ CCNC P24863 4/20 0.43
▸ CDK8 P49336 4/20 0.43
▸ KDM5B Q9UGL1 1/20 0.41
▸ NR3C1 P04150 2/20 0.40
▸ PGR P06401 1/20 0.39
▸ APP P05067 1/20 0.38
▸ FASN P49327 1/20 0.38

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
SCHEMBL15344944 0.84 TRPA1 (0.56) TRPA1CREBBPBRD4ARUSP7
SCHEMBL17547042 0.82 TRPA1 (0.54) TRPA1CREBBPBRD4ARUSP7
SCHEMBL15340928 0.80 TRPA1 (0.52) TRPA1CREBBPBRD4ARUSP7
SCHEMBL18015720 0.78 TRPA1 (0.61) TRPA1CREBBPBRD4ARUSP7
SCHEMBL15334010 0.76 TRPA1 (0.56) TRPA1CREBBPBRD4ARCCNC
SCHEMBL30549500 0.72 TRPA1 (0.64) TRPA1CREBBPBRD4ARUSP7
SCHEMBL27002429 0.71 HIF1A (0.41) —
SCHEMBL21116103 0.71 TRPA1 (0.60) TRPA1CREBBPBRD4ARUSP7
Hydrochloric Acid SCHEMBL30549506 0.70 TRPA1 (0.63) TRPA1CREBBPBRD4ARUSP7
SCHEMBL31378486 0.70 TRPA1 (0.59) TRPA1CREBBPBRD4ARUSP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 — — 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TRPA1 4316/4885CREBBP 401/4885BRD4 1928/4885

“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.

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