SCHEMBL2990300

SCHEMBL2990300

CC(C)C(C)(c1ccc(-c2cccnc2)cc1)c1ccc(-c2ccc(C(F)(F)F)nn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.48
ALOX5AP P20292 3/20 0.45
NPC1 O15118 1/20 0.41
DGAT1 O75907 1/20 0.39
KCNH2 Q12809 1/20 0.39
GPR55 Q9Y2T6 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
S1PR1 P21453 1/20 0.37
NPY5R Q15761 1/20 0.37
KDR P35968 1/20 0.37
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
USP1 O94782 1/20 0.36
WDR48 Q8TAF3 1/20 0.36
CCR6 P51684 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK4 P11802 1/20 0.36

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
SCHEMBL3004289 0.84 KIF11 (0.51) KIF11ALOX5APNPC1GPR55KDR
SCHEMBL14397218 0.76 ALOX5AP (0.55) ALOX5APKCNH2PTGS2
SCHEMBL9924166 0.76 ALOX5AP (0.72) ALOX5APKCNH2
SCHEMBL2997218 0.76 ALOX5AP (0.55) ALOX5APNPC1DGAT1ALDH1A1
SCHEMBL707619 0.75 ALOX5AP (0.56) KIF11ALOX5APNPC1DGAT1PTGS2
SCHEMBL9924164 0.75 ALOX5AP (0.76) ALOX5APGPR55KDRPTGS2MKNK1
SCHEMBL480206 0.74 ALOX5AP (0.64) ALOX5APKCNH2
SCHEMBL707655 0.74 ALOX5AP (0.80) ALOX5APKCNH2
SCHEMBL2993422 0.73 ALOX5AP (0.70) ALOX5APNPC1ALDH1A1
SCHEMBL480262 0.73 ALOX5AP (0.82) ALOX5APKCNH2PTGS2MKNK1MKNK2

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-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 EP disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 WO 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B KIF11 4842/4885ALOX5AP 15/4885NPC1 603/4885

“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.