SCHEMBL2995884

SCHEMBL2995884

Cc1nccc(-c2ccc(C(C)(c3ccc(OCc4ccccn4)cc3)C(C)C)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.55
MAPK14 Q16539 5/20 0.41
SMO Q99835 5/20 0.41
SYK P43405 8/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADAMTS4 O75173 1/20 0.40
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
PARP10 Q53GL7 1/20 0.39
MAOB P27338 1/20 0.38
DHODH Q02127 1/20 0.38
AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL3001352 0.88 ALOX5AP (0.55) ALOX5APMAPK14SMOSYKKDM4E
SCHEMBL2991626 0.87 ALOX5AP (0.61) ALOX5APMAPK14SMOSYKKDM4E
SCHEMBL2991944 0.84 ALOX5AP (0.55) ALOX5APMAPK14SMOSYKKDM4E
SCHEMBL2996470 0.84 ALOX5AP (0.51) ALOX5APMAPK14SMOSYKKDM4E
SCHEMBL3002224 0.83 ALOX5AP (0.59) ALOX5APMAPK14SMOSYKKDM4E
SCHEMBL2999380 0.83 ALOX5AP (0.66) ALOX5APMAPK14SMOSYKKDM4E
SCHEMBL14642215 0.83 ALOX5AP (0.56) ALOX5APSYKKDM4EALDH1A1SMN1; SMN2
SCHEMBL3003686 0.82 ALOX5AP (0.61) ALOX5APMAPK14SMOSYKKDM4E
SCHEMBL3000416 0.82 ALOX5AP (0.61) ALOX5APMAPK14SMOSYKKDM4E
SCHEMBL3626552 0.81 ALOX5AP (0.66) ALOX5APMAPK14SMOSYKKDM4E

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 2 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

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 15/4885MAPK14 2199/4885SMO 2133/4885

“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.