SCHEMBL9924145

SCHEMBL9924145

CC(C)C(C)(c1ccc(-c2noc(C3(N)CC3)n2)cc1)c1ccc(OCc2ncccn2)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.41
KIT P10721 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
S1PR1 P21453 1/20 0.32
PPARD Q03181 4/20 0.31
PPARA Q07869 4/20 0.31
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
AOC3 Q16853 2/20 0.30
HSD11B1 P28845 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
SCHEMBL9924140 0.91 ALOX5AP (0.53) ALOX5APKITMAPTPPARDPPARA
SCHEMBL9924141 0.87 ALOX5AP (0.36) ALOX5APHSD11B1
SCHEMBL480001 0.86 ALOX5AP (0.57) ALOX5APKITMAPT
SCHEMBL9924139 0.84 ALOX5AP (0.43) ALOX5APMAPTTSHRS1PR1PPARD
SCHEMBL480298 0.82 ALOX5AP (0.39) ALOX5APMAPTNPC1CASP3RAB9A
SCHEMBL2991804 0.82 ALOX5AP (0.47) ALOX5APMAPTS1PR1PPARDPPARA
SCHEMBL3000722 0.78 ACACB (0.35) ALOX5APMAPTS1PR1PPARDPPARA
SCHEMBL480173 0.76 ALOX5AP (0.55) ALOX5APKITMAPTNPC1RAB9A
SCHEMBL14396685 0.75 ALOX5AP (0.48) ALOX5APNPC1RAB9A
SCHEMBL709386 0.75 ALOX5AP (0.56) ALOX5APAOC3

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 9 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-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-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 13/4885KIT 540/4885MAPT 4815/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885KIT 540/4885MAPT 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.