SCHEMBL707835

SCHEMBL707835

CC(C)[C@@](C)(c1ccc(-c2noc(CN3CCOCC3)n2)cc1)c1ccc(OCc2ccccn2)cn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 3/20 0.43
MAPK14 Q16539 1/20 0.42
SMO Q99835 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
NAMPT P43490 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GLP1R P43220 3/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL707836 1.00 ALOX5AP (0.51) ALOX5APSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL480213 0.96 ALOX5AP (0.54) ALOX5APSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2992316 0.93 SMN1; SMN2 (0.50) ALOX5APSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL709117 0.86 ALOX5AP (0.58) ALOX5APSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL705042 0.86 ALOX5AP (0.52) ALOX5APNPC1RAB9AALDH1A1MAPT
SCHEMBL705041 0.86 ALOX5AP (0.52) ALOX5APNPC1RAB9AALDH1A1MAPT
SCHEMBL706788 0.83 ALOX5AP (0.56) ALOX5APLMNAKMT2A
SCHEMBL709386 0.83 ALOX5AP (0.56) ALOX5APLMNAKMT2A
SCHEMBL708415 0.83 ALOX5AP (0.56) ALOX5APSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9924152 0.83 ALOX5AP (0.65) ALOX5APNPC1RAB9AMAPTMAPK14

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 13/4885SMN1; SMN2 4564/4885NPC1 1015/4885

“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.