SCHEMBL3000321

SCHEMBL3000321

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=O)NC2CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.52
PARP10 Q53GL7 1/20 0.50
DRD4 P21917 1/20 0.48
SLC6A5 Q9Y345 4/20 0.48
MAPK14 Q16539 3/20 0.46
SMO Q99835 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
TAOK1 Q7L7X3 1/20 0.44
TAOK3 Q9H2K8 1/20 0.44

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
SCHEMBL2999279 0.87 PARP10 (0.57) ALOX5APPARP10MAPK14SMONPC1
SCHEMBL2989774 0.86 PARP10 (0.50) PARP10DRD4SLC6A5MAPK14SMO
SCHEMBL14008636 0.85 ALOX5AP (0.53) ALOX5APPARP10MAPK14SMONPC1
SCHEMBL2248223 0.85 ALOX5AP (0.55) ALOX5APPARP10MAPK14SMORAB9A
SCHEMBL3000832 0.85 ALOX5AP (0.56) ALOX5APPARP10MAPK14SMOSMN1; SMN2
SCHEMBL3000149 0.85 ALOX5AP (0.56) ALOX5APPARP10MAPK14SMONPC1
SCHEMBL2993311 0.85 ALOX5AP (0.51) ALOX5APPARP10MAPK14SMONPC1
SCHEMBL2993276 0.83 PARP10 (0.52) PARP10DRD4MAPK14SMONPC1
SCHEMBL2996721 0.83 ALOX5AP (0.52) ALOX5APPARP10MAPK14SMOSMN1; SMN2
SCHEMBL13267977 0.83 ALOX5AP (0.51) ALOX5APPARP10MAPK14SMOSMN1; 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 ALOX5AP 15/4885PARP10 1048/4885DRD4 2509/4885

“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.