SCHEMBL9924152

SCHEMBL9924152

CC(C)C(C)(c1ccc(-c2ccc(CN3CCOCC3)nn2)cc1)c1ccc(OCc2ccccn2)cn1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.65
MAPK14 Q16539 4/20 0.43
SMO Q99835 2/20 0.43
MCHR1 Q99705 1/20 0.38
FFAR1 O14842 1/20 0.37
TGFBR1 P36897 2/20 0.36
ADAMTS4 O75173 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
P2RY12 Q9H244 1/20 0.35
PIK3CA P42336 1/20 0.35
PRKDC P78527 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL3000650 0.94 ALOX5AP (0.56) ALOX5APMAPK14SMOMCHR1FFAR1
SCHEMBL705042 0.86 ALOX5AP (0.52) ALOX5APMAPK14SMOFFAR1ADAMTS4
SCHEMBL705041 0.86 ALOX5AP (0.52) ALOX5APMAPK14SMOFFAR1ADAMTS4
SCHEMBL708015 0.85 ALOX5AP (0.73) ALOX5APMAPK14SMOADAMTS4NPC1
SCHEMBL708016 0.85 ALOX5AP (0.73) ALOX5APMAPK14SMOADAMTS4NPC1
SCHEMBL9924147 0.83 ALOX5AP (0.73) ALOX5APMAPK14SMOADAMTS4NPC1
SCHEMBL707836 0.83 ALOX5AP (0.51) ALOX5APMAPK14SMONPC1MAPT
SCHEMBL707835 0.83 ALOX5AP (0.51) ALOX5APMAPK14SMONPC1MAPT
SCHEMBL708385 0.82 ALOX5AP (0.90) ALOX5APMAPK14SMOADAMTS4NPC1
SCHEMBL708386 0.82 ALOX5AP (0.90) ALOX5APMAPK14SMOADAMTS4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013174-B1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME (US) 2013-05-08 EP disclosed
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-20120149674-A1 Diaryl Substituted Alkanes MERCK SHARPE & DOHME CORP. (US) 2012-06-14 US disclosed
US-20120149674-A1 Diaryl Substituted Alkanes MERCK SHARPE & DOHME CORP. (US) 2012-06-14 US disclosed
US-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
US-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
WO-2007120574-A2 DIARYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2007-10-25 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 (2 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-20120149674-A1 Diaryl Substituted Alkanes ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885MAPK14 2101/4885SMO 2495/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885MAPK14 2101/4885SMO 2495/4885

“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.