SCHEMBL2991950

SCHEMBL2991950

Cc1ccc(C)n1-c1ccc(-c2ccc(C(C)(c3ccc(C(C)(C)O)cc3)C(C)C)cc2)nn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.42
TNKS O95271 3/20 0.34
PARP1 P09874 3/20 0.34
TNKS2 Q9H2K2 3/20 0.34
ADORA3 P0DMS8 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PARP6 Q2NL67 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TIPARP Q7Z3E1 1/20 0.33
PARP8 Q8N3A8 1/20 0.33
PARP12 Q9H0J9 1/20 0.33
PARP11 Q9NR21 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
BRD9 Q9H8M2 1/20 0.31

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
SCHEMBL2995893 0.90 ALOX5AP (0.38) ALOX5APSLC6A3
SCHEMBL13262159 0.81 ALOX5AP (0.49) ALOX5AP
SCHEMBL13262240 0.80 ALOX5AP (0.48) ALOX5AP
SCHEMBL978617 0.78 HSD11B1 (0.37) TNKSPARP1TNKS2
SCHEMBL2990063 0.78 ALOX5AP (0.52) ALOX5APBRD9
SCHEMBL10199229 0.76 KDM4E (0.48) ALOX5AP
SCHEMBL2993357 0.76 ALOX5AP (0.60) ALOX5AP
SCHEMBL10197152 0.75 ALOX5AP (0.46) ALOX5AP
SCHEMBL10198931 0.72 ALOX5AP (0.43) ALOX5AP
SCHEMBL480312 0.70 ALOX5AP (0.72) ALOX5AP

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 6 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
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
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US 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 15/4885TNKS 1722/4885PARP1 678/4885

“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.