SCHEMBL2996098

SCHEMBL2996098

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2nc(CN3CCN(C(=O)OC(C)(C)C)CC3=O)co2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.42
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
P2RX7 Q99572 1/20 0.37
FFAR1 O14842 1/20 0.36
PDE10A Q9Y233 1/20 0.35
ABCB1 P08183 1/20 0.34
ABCC1 P33527 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
PIK3CD O00329 1/20 0.34
GRAMD1A Q96CP6 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
PRMT5 O14744 2/20 0.34
ADAMTS4 O75173 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL3002907 0.84 ALOX5AP (0.43) ALOX5APPPARGPPARAFFAR1PDE10A
SCHEMBL2995461 0.80 HRH3 (0.52) ALOX5APPPARGPPARAFFAR1ABCB1
SCHEMBL3000988 0.80 ALOX5AP (0.43) ALOX5APPPARGPPARAFFAR1ABCB1
SCHEMBL2990949 0.79 ALOX5AP (0.47) ALOX5APPPARGPPARAFFAR1ABCB1
SCHEMBL13248455 0.78 ALOX5AP (0.52) ALOX5APPPARGPPARAFFAR1GPR119
SCHEMBL2995819 0.78 ALOX5AP (0.47) ALOX5APPPARGPPARAFFAR1ABCB1
SCHEMBL2991267 0.77 ALOX5AP (0.45) ALOX5APPPARGPPARAFFAR1ABCB1
SCHEMBL2986614 0.77 ALOX5AP (0.50) ALOX5APPPARGPPARAFFAR1ADAMTS4
SCHEMBL13248470 0.77 ALOX5AP (0.53) ALOX5APPPARGPPARAFFAR1GPR119
SCHEMBL2991929 0.76 ALOX5AP (0.50) ALOX5APPPARGPPARAFFAR1GPR119

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 6 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
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
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US 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 15/4885PPARG 657/4885PPARA 832/4885

“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.