SCHEMBL3000899

SCHEMBL3000899

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2ccc(F)nn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.65
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
MAPK14 Q16539 4/20 0.42
SMO Q99835 4/20 0.42
SYK P43405 7/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADAMTS4 O75173 1/20 0.39
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
PARP10 Q53GL7 1/20 0.38
MAOB P27338 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL2999380 0.88 ALOX5AP (0.66) ALOX5APNPC1RAB9AMAPTMAPK14
SCHEMBL3626552 0.88 ALOX5AP (0.66) ALOX5APNPC1RAB9AMAPTMAPK14
SCHEMBL2993422 0.88 ALOX5AP (0.70) ALOX5APNPC1RAB9AMAPTMAPK14
SCHEMBL3000709 0.88 ALOX5AP (0.65) ALOX5APNPC1RAB9AMAPTMAPK14
SCHEMBL3003688 0.88 ALOX5AP (0.65) ALOX5APNPC1RAB9AMAPTMAPK14
SCHEMBL2989772 0.88 ALOX5AP (0.65) ALOX5APNPC1RAB9AMAPTMAPK14
SCHEMBL3002644 0.87 ALOX5AP (0.66) ALOX5APNPC1RAB9AMAPTMAPK14
SCHEMBL2997435 0.86 ALOX5AP (0.86) ALOX5APNPC1RAB9AMAPTMAPK14
SCHEMBL2991626 0.86 ALOX5AP (0.61) ALOX5APMAPK14SMOSYKKDM4E
SCHEMBL3003686 0.85 ALOX5AP (0.61) ALOX5APNPC1RAB9AMAPTMAPK14

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 15/4885NPC1 603/4885RAB9A 4316/4885

“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.