SCHEMBL2998243

SCHEMBL2998243

CC(C)C(C)(c1ccc(OCc2nccs2)cc1)c1ccc(-c2nc(C(C)(C)O)co2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.41
ACACB O00763 1/20 0.39
PPARG P37231 5/20 0.35
PPARA Q07869 4/20 0.35
ALOX5 P09917 2/20 0.34
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
ADAM17 P78536 1/20 0.33
AOC3 Q16853 2/20 0.32
PPARD Q03181 3/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31

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
SCHEMBL2995516 0.84 ACACB (0.41) ALOX5APACACBPPARGPPARAMMP9
SCHEMBL3625087 0.83 ACACB (0.44) ALOX5APACACBPPARGPPARAALOX5
SCHEMBL2995631 0.82 ALOX5AP (0.61) ALOX5APPPARGPPARAALOX5KDM4E
SCHEMBL3002131 0.81 ALOX5AP (0.59) ALOX5APACACBALOX5MMP9MMP13
SCHEMBL2995463 0.79 AOC3 (0.39) ALOX5APACACBPPARAAOC3PPARD
SCHEMBL3002980 0.76 APP (0.45) ALOX5APACACBALOX5MMP9MMP13
SCHEMBL480426 0.75 ALOX5AP (0.47) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL9924120 0.75 ALOX5AP (0.46) ALOX5APACACBPPARAALOX5MMP9
SCHEMBL2993269 0.74 NR4A2 (0.49) ACACBPPARDNPC1RAB9ASMN1; SMN2
SCHEMBL3000188 0.74 ACACB (0.46) ALOX5APACACBALOX5ALDH1A1RAB9A

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 ALOX5AP 15/4885ACACB 1284/4885PPARG 657/4885

“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.