SCHEMBL532279

SCHEMBL532279

COc1ccc(C(C)C)c(F)c1OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
AOC3 Q16853 2/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NFE2L2 Q16236 2/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRB P10828 1/20 0.34
RORC P51449 1/20 0.34
FPR2 P25090 1/20 0.34
TUBB1 Q9H4B7 1/20 0.33
CES2 O00748 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
SCHEMBL25734134 0.85 ALOX5AP (0.35) CA1CA2CA7CA9SMN1; SMN2
SCHEMBL10617779 0.85 AOC3 (0.44) CA1CA2CA7CA9AOC3
SCHEMBL31063050 0.83 CA1 (0.43) CA1CA2CA7CA9POLB
SCHEMBL8244029 0.83 CA1 (0.43) CA1CA2CA7CA9POLB
SCHEMBL24371627 0.82 GAA (0.35) CA1CA2CA7CA9POLB
SCHEMBL24291801 0.82 MEP1B (0.36) CA1CA2CA7CA9SMN1; SMN2
SCHEMBL487296 0.81 AOC3 (0.50) CA1CA2CA7CA9AOC3
SCHEMBL25072492 0.78 EIF4A3 (0.31) CA1CA2CA7CA9
SCHEMBL22483856 0.78 ALDH1A1 (0.39) CA1CA2CA7CA9THRB
SCHEMBL24449859 0.78 BCHE (0.46) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
CN-104557757-A CETP inhibitors MERCK & CO INC 2015-04-29 CN disclosed
CN-104447603-A CETP inhibitors MERCK SHARP & DOHME 2015-03-25 CN disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US 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-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US 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 (5 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP CA1 4795/4885CA2 4174/4885CA7 3089/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP CA1 4795/4885CA2 4174/4885CA7 3089/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP CA1 4795/4885CA2 4174/4885CA7 3089/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP CA1 4795/4885CA2 4174/4885CA7 3089/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP CA1 4795/4885CA2 4174/4885CA7 3089/4885

“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.