SCHEMBL707986

SCHEMBL707986

Cc1ccc(C)n1-c1ncc(-c2ccc(C(C)(c3ccc(-c4ccc(C(F)(F)F)nn4)cc3)C(C)C)nc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.53
TRPV3 Q8NET8 8/20 0.33
KDM4E B2RXH2 1/20 0.32
PTGS2 P35354 1/20 0.30
ATM Q13315 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
SCHEMBL14397114 1.00 ALOX5AP (0.53) ALOX5APTRPV3KDM4EPTGS2ATM
SCHEMBL480312 0.86 ALOX5AP (0.72) ALOX5APKDM4E
SCHEMBL9924166 0.84 ALOX5AP (0.72) ALOX5APTRPV3
SCHEMBL14397218 0.82 ALOX5AP (0.55) ALOX5APTRPV3PTGS2
SCHEMBL2794942 0.81 ALOX5AP (0.55) ALOX5AP
SCHEMBL13262244 0.80 ALOX5AP (0.47) ALOX5APKDM4E
SCHEMBL707655 0.80 ALOX5AP (0.80) ALOX5APTRPV3
SCHEMBL707619 0.79 ALOX5AP (0.56) ALOX5APTRPV3KDM4EPTGS2
SCHEMBL10199332 0.78 ALOX5AP (0.47) ALOX5APKDM4E
SCHEMBL13262240 0.77 ALOX5AP (0.48) ALOX5APPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US claimed
US-20120149674-A1 Diaryl Substituted Alkanes MERCK SHARPE & DOHME CORP. (US) 2012-06-14 US claimed
EP-2013174-B1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME (US) 2013-05-08 EP disclosed
EP-2013174-B1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME (US) 2013-05-08 EP disclosed
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-20120149674-A1 Diaryl Substituted Alkanes MERCK SHARPE & DOHME CORP. (US) 2012-06-14 US disclosed
US-20120149674-A1 Diaryl Substituted Alkanes MERCK SHARPE & DOHME CORP. (US) 2012-06-14 US disclosed
US-20120149674-A1 Diaryl Substituted Alkanes MERCK SHARPE & DOHME CORP. (US) 2012-06-14 US disclosed
US-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
US-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
US-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 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 (2 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-20120149674-A1 Diaryl Substituted Alkanes ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885TRPV3 1195/4885KDM4E 2311/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885TRPV3 1195/4885KDM4E 2311/4885

“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.