SCHEMBL705041

SCHEMBL705041

CC(C)[C@@](C)(c1ccc(-c2cc(CN3CCOCC3)no2)cc1)c1ccc(OCc2ccccn2)cn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.52
MAPK14 Q16539 4/20 0.44
SMO Q99835 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
P2RY12 Q9H244 1/20 0.37
PRKDC P78527 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
PIK3CD O00329 1/20 0.35
FFAR1 O14842 1/20 0.35
RET P07949 1/20 0.34
ADAMTS4 O75173 1/20 0.34
PIK3CA P42336 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
SCHEMBL705042 1.00 ALOX5AP (0.52) ALOX5APMAPK14SMONPC1RAB9A
SCHEMBL2995851 0.93 NPC1 (0.48) ALOX5APMAPK14SMONPC1RAB9A
SCHEMBL9924107 0.88 ALOX5AP (0.57) ALOX5APMAPK14SMONPC1RAB9A
SCHEMBL708341 0.87 ALOX5AP (0.59) ALOX5APMAPK14SMONPC1RAB9A
SCHEMBL707122 0.87 ALOX5AP (0.56) ALOX5APMAPK14SMONPC1RAB9A
SCHEMBL707835 0.86 ALOX5AP (0.51) ALOX5APMAPK14SMONPC1RAB9A
SCHEMBL707836 0.86 ALOX5AP (0.51) ALOX5APMAPK14SMONPC1RAB9A
SCHEMBL2993020 0.86 ALOX5AP (0.47) ALOX5APMAPK14SMONPC1RAB9A
SCHEMBL9924152 0.86 ALOX5AP (0.65) ALOX5APMAPK14SMONPC1RAB9A
SCHEMBL480213 0.84 ALOX5AP (0.54) ALOX5APMAPK14SMONPC1RAB9A

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 13/4885MAPK14 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.