SCHEMBL2994531

SCHEMBL2994531

Cc1ccc(-c2ccc(C(c3ccc(OCc4ccccn4)cc3)C(C)(C)C)cc2)nn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.49
▸ NPC1 O15118 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MAPK14 Q16539 2/20 0.44
▸ SMO Q99835 2/20 0.44
▸ SYK P43405 8/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ADAMTS4 O75173 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ AURKB Q96GD4 2/20 0.40
▸ INCENP Q9NQS7 2/20 0.40
▸ PARP10 Q53GL7 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39

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
SCHEMBL2990181 0.88 MAPK14 (0.54) ALOX5APNPC1MAPTRAB9AMAPK14
SCHEMBL2999380 0.84 ALOX5AP (0.66) ALOX5APNPC1MAPTRAB9AMAPK14
SCHEMBL3002189 0.83 ALOX5AP (0.43) ALOX5APNPC1MAPTRAB9AMAPK14
SCHEMBL2997210 0.81 HPGD (0.42) ALOX5APMAPK14SMOSYKKDM4E
SCHEMBL13248546 0.79 PARP10 (0.49) ALOX5APMAPTRAB9ASYKKDM4E
SCHEMBL2244348 0.79 SYK (0.41) ALOX5APMAPTRAB9AMAPK14SMO
SCHEMBL3002623 0.79 KDM4E (0.42) ALOX5APMAPK14SMOSYKKDM4E
SCHEMBL13902762 0.78 SYK (0.40) ALOX5APSYKKDM4EALDH1A1SMN1; SMN2
SCHEMBL13902771 0.77 KMT2A (0.53) NPC1RAB9AALDH1A1CYP2C9
SCHEMBL2246698 0.77 DHODH (0.41) 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 15/4885NPC1 603/4885MAPT 4788/4885

“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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