SCHEMBL2990181

SCHEMBL2990181

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.54
▸ SMO Q99835 2/20 0.54
▸ ALOX5AP P20292 3/20 0.48
▸ MAPT P10636 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ PARP10 Q53GL7 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 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
▸ HPGD P15428 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 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
SCHEMBL2994531 0.88 ALOX5AP (0.49) MAPK14SMOALOX5APMAPTNPC1
SCHEMBL2989772 0.84 ALOX5AP (0.65) MAPK14SMOALOX5APMAPTNPC1
SCHEMBL3625839 0.84 MAPK14 (0.55) MAPK14SMOALOX5APMAPTNPC1
SCHEMBL13248546 0.83 PARP10 (0.49) ALOX5APMAPTRAB9APARP10SMN1; SMN2
SCHEMBL3002189 0.82 ALOX5AP (0.43) MAPK14SMOALOX5APMAPTNPC1
SCHEMBL2997210 0.81 HPGD (0.42) MAPK14SMOALOX5APPARP10SMN1; SMN2
SCHEMBL13248543 0.80 DHODH (0.43) MAPK14SMOALOX5APPARP10SMN1; SMN2
SCHEMBL2993222 0.80 MGAM (0.56) ALOX5APMAPTNPC1RAB9APARP10
SCHEMBL2245993 0.80 KDM4E (0.50) ALOX5APMAPTNPC1RAB9APARP10
SCHEMBL3002623 0.78 KDM4E (0.42) MAPK14SMOALOX5APPARP10SMN1; SMN2

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 MAPK14 2199/4885SMO 2133/4885ALOX5AP 15/4885

“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.

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