SCHEMBL15340928

SCHEMBL15340928

CC(C)n1cccc(-c2ccc3c(cnn3C)c2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.52
▸ CREBBP Q92793 3/20 0.46
▸ KDM5B Q9UGL1 1/20 0.46
▸ BRD4 O60885 2/20 0.45
▸ AR P10275 5/20 0.43
▸ CDK8 P49336 5/20 0.43
▸ CCNC P24863 4/20 0.43
▸ TLR9 Q9NR96 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ USP7 Q93009 1/20 0.39
▸ APP P05067 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) TRPA1CREBBPKDM5BBRD4AR
SCHEMBL17547042 0.82 TRPA1 (0.54) TRPA1CREBBPKDM5BBRD4AR
SCHEMBL20132641 0.80 TRPA1 (0.55) TRPA1CREBBPKDM5BBRD4AR
SCHEMBL15341806 0.79 KDM5B (0.53) TRPA1CREBBPKDM5BBRD4AR
SCHEMBL15340929 0.76 KDM5B (0.46) TRPA1KDM5BARAPP
SCHEMBL15334010 0.76 TRPA1 (0.56) TRPA1CREBBPKDM5BBRD4AR
SCHEMBL27446328 0.74 BRD4 (0.52) CREBBPKDM5BBRD4
SCHEMBL18015720 0.72 TRPA1 (0.61) TRPA1CREBBPBRD4ARCDK8
SCHEMBL30549500 0.72 TRPA1 (0.64) TRPA1CREBBPBRD4ARCDK8
Hydrochloric Acid SCHEMBL30549506 0.70 TRPA1 (0.63) TRPA1CREBBPBRD4ARCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 — — US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 — — US disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 — — US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 — — US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 — — US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 — — US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 — — US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 — — 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 (5 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 401/4885KDM5B 3695/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 TRPA1 4766/4885CREBBP 942/4885KDM5B 4421/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TRPA1 4316/4885CREBBP 401/4885KDM5B 3695/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TRPA1 4316/4885CREBBP 401/4885KDM5B 3695/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 TRPA1 4766/4885CREBBP 942/4885KDM5B 4421/4885

“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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