SCHEMBL9924121

SCHEMBL9924121

CC(C)C(C)(c1ccc(-c2cc(C(C)(C)O)no2)cc1)c1ccc(OCc2ncccn2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.52
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
SMPD1 P17405 2/20 0.32
CXCR1 P25024 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
KDM4E B2RXH2 3/20 0.31
HPGD P15428 3/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RAB9A P51151 5/20 0.31
SMN1; SMN2 Q16637 4/20 0.31
NPC1 O15118 3/20 0.31
TP53 P04637 2/20 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
SCHEMBL707916 0.90 ALOX5AP (0.66) ALOX5APKDM4EMAPTALDH1A1MEN1
SCHEMBL707915 0.90 ALOX5AP (0.66) ALOX5APKDM4EMAPTALDH1A1MEN1
SCHEMBL9924120 0.86 ALOX5AP (0.46) ALOX5APPPARDPPARASMPD1
SCHEMBL706833 0.82 ALOX5AP (0.72) ALOX5APCYP4F2CYP4A11
SCHEMBL706834 0.82 ALOX5AP (0.72) ALOX5APCYP4F2CYP4A11
SCHEMBL3004043 0.81 ALOX5AP (0.61) ALOX5APSMPD1CXCR1KDM4EMAPT
SCHEMBL708341 0.79 ALOX5AP (0.59) ALOX5APPPARDPPARAKDM4EMAPT
SCHEMBL9924139 0.79 ALOX5AP (0.43) ALOX5APPPARDPPARAMAPT
SCHEMBL14396685 0.79 ALOX5AP (0.48) ALOX5APCYP4F2CYP4A11KDM4EHPGD
SCHEMBL9924107 0.78 ALOX5AP (0.57) ALOX5APPPARDPPARAKDM4EMAPT

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 10 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-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 13/4885PPARG 1043/4885PPARD 2150/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885PPARG 1043/4885PPARD 2150/4885

“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.