SCHEMBL531610

SCHEMBL531610

COc1ccc(C(F)(F)F)cc1OBOc1cc(C(F)(F)F)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NQO2 P16083 1/20 0.41
HTR2A P28223 1/20 0.41
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CRHR1 P34998 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARA Q07869 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL8194032 0.93 L3MBTL1 (0.45) L3MBTL1RAB9AMEN1KMT2AALOX15
SCHEMBL10451549 0.86 MEN1 (0.53) L3MBTL1RAB9AMEN1KMT2AALOX15
SCHEMBL1542268 0.83 CA1 (0.43) MEN1KMT2AALOX15KDM4EALDH1A1
SCHEMBL15031542 0.79 MAPT (0.43) L3MBTL1RAB9AMEN1KMT2AALOX15
SCHEMBL16991134 0.77 IDO1 (0.43) L3MBTL1RAB9AMAPTNPSR1KDM4E
SCHEMBL521919 0.77 RXRA (0.44) L3MBTL1RAB9AMAPTNPSR1HTR2A
SCHEMBL169247 0.76 GAA (0.55) L3MBTL1RAB9AMEN1KMT2AALOX15
SCHEMBL1274838 0.76 PDE2A (0.47) MEN1KMT2A
SCHEMBL2269588 0.76 PDE2A (0.43) L3MBTL1MEN1KMT2AMAPTHTR2A
SCHEMBL5685349 0.75 CASP1 (0.45) L3MBTL1RAB9AMEN1KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
WO-2015130957-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals, Ltd. (US) 2015-09-03 WO disclosed
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 EP disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed
US-7652049-B2 1-benzyl-4-[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]imidazolidin-2-one; cholesteryl ester transfer protein inhibitor; raising HDL-cholesterol, reducing LDL-cholesterol; atherosclerosis; antiinflammatory agent; synergistic mixture with other active ingredients MERCK & CO., INC. (US) 2010-01-26 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
EP-1765793-A1 CETP INHIBITORS Merck and Co., Inc. (US) 2007-03-28 EP disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 US disclosed
WO-2006014413-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 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 (3 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-20060040999-A1 CETP inhibitors CETP, APOB, MTTP L3MBTL1 2269/4885RAB9A 4272/4885MEN1 4409/4885
US-11236078-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPM6, SCN1A L3MBTL1 2380/4885RAB9A 853/4885MEN1 427/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP L3MBTL1 2269/4885RAB9A 4272/4885MEN1 4409/4885

“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.