SCHEMBL2999249

SCHEMBL2999249

CC(C)C(C)(c1ccc(OCc2nccs2)cc1)c1ccc(-c2noc(C3(O)CC3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.35
ACACB O00763 3/20 0.35
S1PR1 P21453 1/20 0.34
PPARD Q03181 5/20 0.34
PPARA Q07869 5/20 0.34
ALOX5AP P20292 2/20 0.34
HSD11B1 P28845 1/20 0.34
SMPD1 P17405 1/20 0.33
FFAR1 O14842 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
PSMB5 P28074 1/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL3000722 0.90 ACACB (0.35) ACACBS1PR1PPARDPPARAALOX5AP
SCHEMBL2995463 0.84 AOC3 (0.39) CCR6ACACBS1PR1PPARDPPARA
SCHEMBL3000791 0.83 ALOX5AP (0.49) CCR6PPARDPPARAALOX5APMAPT
SCHEMBL9924141 0.82 ALOX5AP (0.36) ACACBALOX5APHSD11B1
SCHEMBL480298 0.82 ALOX5AP (0.39) ACACBALOX5APHSD11B1MAPT
SCHEMBL480426 0.76 ALOX5AP (0.47) ACACBALOX5AP
SCHEMBL9924138 0.75 ALOX5AP (0.38) ACACBS1PR1PPARDPPARAALOX5AP
SCHEMBL2993269 0.74 NR4A2 (0.49) ACACBPPARD
SCHEMBL3002980 0.73 APP (0.45) ACACBALOX5AP
SCHEMBL2995628 0.73 NPC1 (0.46) ACACBALOX5APTSHR

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
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

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 CCR6 1214/4885ACACB 1284/4885S1PR1 440/4885

“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.