SCHEMBL2996470

SCHEMBL2996470

CCOc1cc(-c2ccc(C(C)(c3ccc(OCc4ccccn4)cc3)C(C)C)cc2)nc(C)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.51
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
MAPK14 Q16539 6/20 0.40
SMO Q99835 6/20 0.40
SYK P43405 4/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
ADAMTS4 O75173 1/20 0.36
DHODH Q02127 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL2995884 0.84 ALOX5AP (0.55) ALOX5APMAPK14SMOSYKALDH1A1
SCHEMBL2991626 0.81 ALOX5AP (0.61) ALOX5APMAPK14SMOSYKFFAR1
SCHEMBL3002224 0.78 ALOX5AP (0.59) ALOX5APMAPK14SMOSYKALDH1A1
SCHEMBL2999380 0.78 ALOX5AP (0.66) ALOX5APMAPK14SMOSYKNPC1
SCHEMBL3626552 0.78 ALOX5AP (0.66) ALOX5APMAPK14SMOSYKNPC1
SCHEMBL14642215 0.78 ALOX5AP (0.56) ALOX5APSYKNPC1RAB9AMAPT
SCHEMBL3003688 0.77 ALOX5AP (0.65) ALOX5APMAPK14SMOSYKNPC1
SCHEMBL2991944 0.77 ALOX5AP (0.55) ALOX5APMAPK14SMOSYKALDH1A1
SCHEMBL3001352 0.77 ALOX5AP (0.55) ALOX5APMAPK14SMOSYKNPC1
SCHEMBL3003686 0.77 ALOX5AP (0.61) ALOX5APMAPK14SMOSYKNPC1

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 ALOX5AP 15/4885EDNRB 340/4885EDNRA 261/4885

“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.