SCHEMBL708341

SCHEMBL708341

CC(C)C(C)(c1ccc(-c2cc(CO)no2)cc1)c1ccc(OCc2ccccn2)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.59
NOTUM Q6P988 2/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADAMTS4 O75173 1/20 0.38
SYK P43405 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARA Q07869 4/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
PPARD Q03181 3/20 0.35

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
SCHEMBL9924107 0.92 ALOX5AP (0.57) ALOX5APMAPTALDH1A1TP53KDM4E
SCHEMBL707122 0.91 ALOX5AP (0.56) ALOX5APMAPTALDH1A1TP53KDM4E
SCHEMBL707915 0.90 ALOX5AP (0.66) ALOX5APMAPTALDH1A1TP53KDM4E
SCHEMBL707916 0.90 ALOX5AP (0.66) ALOX5APMAPTALDH1A1TP53KDM4E
SCHEMBL705041 0.87 ALOX5AP (0.52) ALOX5APMAPTALDH1A1TP53KDM4E
SCHEMBL705042 0.87 ALOX5AP (0.52) ALOX5APMAPTALDH1A1TP53KDM4E
SCHEMBL9925576 0.85 ALOX5AP (0.56) ALOX5APMAPTALDH1A1TP53KDM4E
SCHEMBL709581 0.85 ALOX5AP (0.56) ALOX5APMAPTALDH1A1TP53KMT2A
SCHEMBL709117 0.83 ALOX5AP (0.58) ALOX5APNOTUMMAPTALDH1A1KDM4E
SCHEMBL708016 0.82 ALOX5AP (0.73) ALOX5APMAPTADAMTS4SYKNPC1

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 11 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-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 13/4885NOTUM 239/4885MAPT 4815/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885NOTUM 239/4885MAPT 4815/4885

“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.