SCHEMBL710361

SCHEMBL710361

CC(=O)c1ccc(-c2ccc(C(C)(c3ccc(OCc4ncccn4)cn3)C(C)C)cc2)nn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.58
SYK P43405 1/20 0.35
ADAMTS4 O75173 4/20 0.32
CYP4F2 P78329 4/20 0.32
CYP4A11 Q02928 4/20 0.32
MCL1 Q07820 1/20 0.31
DGAT1 O75907 2/20 0.31
P4HTM Q9NXG6 1/20 0.31
MAPK14 Q16539 1/20 0.31
SMO Q99835 1/20 0.31
MMP13 P45452 2/20 0.30
MRGPRX4 Q96LA9 1/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL706833 0.87 ALOX5AP (0.72) ALOX5APADAMTS4CYP4F2CYP4A11
SCHEMBL706834 0.87 ALOX5AP (0.72) ALOX5APADAMTS4CYP4F2CYP4A11
SCHEMBL9924162 0.85 ALOX5AP (0.51) ALOX5AP
SCHEMBL707244 0.82 ALOX5AP (0.70) ALOX5APADAMTS4MAPK14SMO
SCHEMBL480223 0.79 ALOX5AP (0.79) ALOX5APADAMTS4MCL1MAPK14SMO
SCHEMBL14396685 0.78 ALOX5AP (0.48) ALOX5APCYP4F2CYP4A11MRGPRX4
SCHEMBL480396 0.77 ALOX5AP (0.77) ALOX5APADAMTS4MAPK14SMO
SCHEMBL708385 0.77 ALOX5AP (0.90) ALOX5APSYKADAMTS4CYP4F2CYP4A11
SCHEMBL708386 0.77 ALOX5AP (0.90) ALOX5APSYKADAMTS4CYP4F2CYP4A11
SCHEMBL708933 0.77 ALOX5AP (0.48) ALOX5APMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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
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 13/4885SYK 3335/4885ADAMTS4 1701/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885SYK 3335/4885ADAMTS4 1701/4885

“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.