SCHEMBL707915

SCHEMBL707915

CC(C)[C@@](C)(c1ccc(-c2cc(C(C)(C)O)no2)cc1)c1ccc(OCc2ccccn2)cn1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.66
ADAMTS4 O75173 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
SYK P43405 4/20 0.35
MAOB P27338 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPK14 Q16539 5/20 0.34
SMO Q99835 5/20 0.34
MAPK1 P28482 1/20 0.34
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33

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
SCHEMBL707916 1.00 ALOX5AP (0.66) ALOX5APADAMTS4MAPTALDH1A1TP53
SCHEMBL3004043 0.92 ALOX5AP (0.61) ALOX5APADAMTS4MAPTALDH1A1TP53
SCHEMBL9924121 0.90 ALOX5AP (0.52) ALOX5APMAPTALDH1A1TP53RAB9A
SCHEMBL708341 0.90 ALOX5AP (0.59) ALOX5APADAMTS4MAPTALDH1A1TP53
SCHEMBL9924107 0.89 ALOX5AP (0.57) ALOX5APADAMTS4MAPTALDH1A1TP53
SCHEMBL707122 0.88 ALOX5AP (0.56) ALOX5APADAMTS4MAPTALDH1A1TP53
SCHEMBL9925576 0.87 ALOX5AP (0.56) ALOX5APADAMTS4MAPTALDH1A1TP53
SCHEMBL709581 0.85 ALOX5AP (0.56) ALOX5APADAMTS4MAPTALDH1A1TP53
SCHEMBL9924120 0.84 ALOX5AP (0.46) ALOX5APALOX5
SCHEMBL705041 0.83 ALOX5AP (0.52) ALOX5APADAMTS4MAPTALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US claimed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US claimed

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-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885ADAMTS4 1701/4885MAPT 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.