SCHEMBL2995463

SCHEMBL2995463

CC(C)C(C)(c1ccc(OCc2nccs2)cc1)c1ccc(-c2noc(C(C)(C)O)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.39
HPGDS O60760 5/20 0.38
ALOX5AP P20292 1/20 0.37
ACACB O00763 2/20 0.37
S1PR1 P21453 1/20 0.36
PPARD Q03181 5/20 0.36
PPARA Q07869 5/20 0.36
HDAC4 P56524 1/20 0.36
ABCB1 P08183 1/20 0.35
CYP2D6 P10635 1/20 0.35
CCR6 P51684 1/20 0.35
SMPD1 P17405 1/20 0.35
MAPT P10636 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL480426 0.91 ALOX5AP (0.47) AOC3HPGDSALOX5APACACB
SCHEMBL3000129 0.84 AOC3 (0.43) AOC3HPGDSALOX5APS1PR1PPARD
SCHEMBL2999249 0.84 CCR6 (0.35) ALOX5APACACBS1PR1PPARDPPARA
SCHEMBL9924138 0.83 ALOX5AP (0.38) AOC3HPGDSALOX5APACACBS1PR1
SCHEMBL2993255 0.82 ALOX5AP (0.56) AOC3HPGDSALOX5APPPARDPPARA
SCHEMBL3000722 0.82 ACACB (0.35) AOC3ALOX5APACACBS1PR1PPARD
SCHEMBL2998243 0.79 ALOX5AP (0.41) AOC3ALOX5APACACBPPARDPPARA
SCHEMBL3002131 0.77 ALOX5AP (0.59) ALOX5APACACBPPARDMAPTFFAR1
SCHEMBL2993269 0.77 NR4A2 (0.49) ACACBPPARD
SCHEMBL3002980 0.76 APP (0.45) ALOX5APACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 EP disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 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 (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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B AOC3 497/4885HPGDS 39/4885ALOX5AP 15/4885

“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.