SCHEMBL3000722

SCHEMBL3000722

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.35
S1PR1 P21453 2/20 0.34
HSD11B1 P28845 1/20 0.34
MAPT P10636 1/20 0.33
PPARD Q03181 5/20 0.33
PPARA Q07869 5/20 0.33
ALOX5AP P20292 1/20 0.33
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
SMPD1 P17405 1/20 0.32
CASP3 P42574 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
AOC3 Q16853 2/20 0.31
FFAR1 O14842 1/20 0.31
S1PR3 Q99500 1/20 0.31
LMNA P02545 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
SCHEMBL9924141 0.92 ALOX5AP (0.36) ACACBHSD11B1ALOX5AP
SCHEMBL480298 0.92 ALOX5AP (0.39) ACACBHSD11B1MAPTALOX5APCASP3
SCHEMBL2999249 0.90 CCR6 (0.35) ACACBS1PR1HSD11B1MAPTPPARD
SCHEMBL2991804 0.83 ALOX5AP (0.47) S1PR1MAPTPPARDPPARAALOX5AP
SCHEMBL2995463 0.82 AOC3 (0.39) ACACBS1PR1MAPTPPARDPPARA
SCHEMBL9924145 0.78 ALOX5AP (0.41) S1PR1HSD11B1MAPTPPARDPPARA
SCHEMBL9924138 0.77 ALOX5AP (0.38) ACACBS1PR1MAPTPPARDPPARA
SCHEMBL480001 0.76 ALOX5AP (0.57) MAPTALOX5AP
SCHEMBL9924140 0.76 ALOX5AP (0.53) MAPTPPARDPPARAALOX5APNPC1
SCHEMBL480426 0.74 ALOX5AP (0.47) ACACBALOX5APCASP3NPC1RAB9A

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 ACACB 1284/4885S1PR1 440/4885HSD11B1 487/4885

“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.