SCHEMBL975263

SCHEMBL975263

CC(C)(O)c1ccc(-c2ccc(C3(c4ccc(OCc5ccccn5)cc4)CCCCC3)cc2)nn1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 4/20 0.60
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAPK14 Q16539 2/20 0.40
▸ SMO Q99835 2/20 0.40
▸ ADAMTS4 O75173 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ SYK P43405 4/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ INCENP Q9NQS7 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RORC P51449 1/20 0.35

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
SCHEMBL975300 0.97 ALOX5AP (0.61) ALOX5APNPC1MAPTRAB9AMAPK14
SCHEMBL977769 0.85 NPC1 (0.43) ALOX5APNPC1MAPTRAB9AMAPK14
SCHEMBL977374 0.84 MAPT (0.43) ALOX5APNPC1MAPTRAB9AMAPK14
SCHEMBL974877 0.82 NPC1 (0.44) ALOX5APNPC1MAPTRAB9AMAPK14
SCHEMBL978365 0.81 MAPT (0.43) ALOX5APNPC1MAPTRAB9AMAPK14
SCHEMBL978616 0.80 MAPK14 (0.44) ALOX5APNPC1MAPTRAB9AMAPK14
SCHEMBL2997435 0.80 ALOX5AP (0.86) ALOX5APNPC1MAPTRAB9AMAPK14
SCHEMBL975773 0.78 CYP1A2 (0.47) ALOX5APMAPK14SMOPARP10KDM4E
SCHEMBL977680 0.77 MAPK14 (0.47) ALOX5APMAPK14SMOADAMTS4PARP10
SCHEMBL12920684 0.76 CYP1A2 (0.40) ALOX5APNPC1MAPTRAB9AMAPK14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 — — US disclosed
EP-2209761-A1 DIPHENYL SUBSTITUTED CYCLOALKANES Merck Sharp & Dohme Corp. (US) 2010-07-28 — — EP disclosed
WO-2009048547-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. (US) 2009-04-16 — — 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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES PTGIS, PTGS1, LTC4S ALOX5AP 47/4885NPC1 721/4885MAPT 4778/4885

“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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