SCHEMBL978616

SCHEMBL978616

CC(=O)c1ccc(-c2ccc(C3(c4ccc(OCc5ccccn5)cc4)CCC3)cc2)nn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.44
▸ SMO Q99835 6/20 0.44
▸ ALOX5AP P20292 2/20 0.43
▸ PARP10 Q53GL7 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SYK P43405 4/20 0.41
▸ AURKB Q96GD4 2/20 0.41
▸ INCENP Q9NQS7 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.39
▸ HPGD P15428 1/20 0.37
▸ MAOB P27338 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
SCHEMBL974877 0.85 NPC1 (0.44) MAPK14SMOALOX5APPARP10NPC1
SCHEMBL978365 0.84 MAPT (0.43) MAPK14SMOALOX5APPARP10NPC1
SCHEMBL12920684 0.84 CYP1A2 (0.40) MAPK14SMOALOX5APPARP10NPC1
SCHEMBL975300 0.83 ALOX5AP (0.61) MAPK14SMOALOX5APPARP10NPC1
SCHEMBL977769 0.82 NPC1 (0.43) MAPK14SMOALOX5APPARP10NPC1
SCHEMBL977374 0.81 MAPT (0.43) MAPK14SMOALOX5APPARP10NPC1
SCHEMBL975773 0.81 CYP1A2 (0.47) MAPK14SMOALOX5APPARP10SYK
SCHEMBL975263 0.80 ALOX5AP (0.60) MAPK14SMOALOX5APPARP10NPC1
SCHEMBL977752 0.78 PARP10 (0.50) ALOX5APPARP10SYKAURKBINCENP
SCHEMBL975580 0.77 PARP10 (0.57) MAPK14SMOALOX5APPARP10KDM4E

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
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 — — US disclosed
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 — — US disclosed
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 — — US 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 MAPK14 2934/4885SMO 2800/4885ALOX5AP 47/4885

“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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