SCHEMBL3000894

SCHEMBL3000894

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2cnc(N)cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.58
FEN1 P39748 3/20 0.41
MAPK14 Q16539 2/20 0.41
SMO Q99835 2/20 0.41
PARP10 Q53GL7 1/20 0.41
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
SYK P43405 5/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
MAOB P27338 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 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
SCHEMBL2988789 0.88 ALOX5AP (0.59) ALOX5APMAPK14SMOPARP10KDM4E
SCHEMBL2991626 0.87 ALOX5AP (0.61) ALOX5APMAPK14SMOPARP10KDM4E
SCHEMBL2991944 0.86 ALOX5AP (0.55) ALOX5APMAPK14SMOPARP10KDM4E
SCHEMBL2989772 0.86 ALOX5AP (0.65) ALOX5APMAPK14SMOPARP10KDM4E
SCHEMBL3000416 0.86 ALOX5AP (0.61) ALOX5APMAPK14SMOPARP10KDM4E
SCHEMBL2990888 0.85 ALOX5AP (0.60) ALOX5APMAPK14SMOPARP10KDM4E
SCHEMBL3001352 0.84 ALOX5AP (0.55) ALOX5APMAPK14SMOPARP10KDM4E
SCHEMBL3002224 0.83 ALOX5AP (0.59) ALOX5APMAPK14SMOPARP10KDM4E
SCHEMBL3003686 0.82 ALOX5AP (0.61) ALOX5APMAPK14SMOPARP10KDM4E
SCHEMBL2996699 0.81 ALOX5AP (0.58) ALOX5APMAPK14SMOPARP10KDM4E

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 15/4885FEN1 629/4885MAPK14 2199/4885

“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.