SCHEMBL531582

SCHEMBL531582

COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CO

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.64
NR1I2 O75469 1/20 0.56

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
SCHEMBL29786762 1.00 CETP (0.64) CETPNR1I2
SCHEMBL14016076 0.91 CETP (0.62) CETPNR1I2
SCHEMBL13395446 0.91 CETP (0.56) CETPNR1I2
SCHEMBL17546257 0.89 CETP (0.66) CETPNR1I2
SCHEMBL20794179 0.89 CETP (0.63) CETPNR1I2
SCHEMBL531553 0.89 CETP (0.63) CETPNR1I2
SCHEMBL9957610 0.88 CETP (0.62) CETPNR1I2
SCHEMBL9955476 0.88 CETP (0.62) CETPNR1I2
SCHEMBL9955359 0.88 CETP (0.62) CETPNR1I2
SCHEMBL14016074 0.86 CETP (0.51) CETPNR1I2

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10300471-B2 Ruthenium-catalyzed synthesis of biaryl compounds in water CHICAGO DISCOVERY SOLUTIONS, LLC 2019-05-28 US disclosed
US-9708277-B2 Inhibitors of cholesterol ester transfer protein CONCERT PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
CN-106032362-A Preparation method of Anacetrapib 湖南千金湘江药业股份有限公司 2016-10-19 CN disclosed
CN-106032362-A Preparation method of Anacetrapib 湖南千金湘江药业股份有限公司 2016-10-19 CN disclosed
US-20160263565-A1 RUTHENIUM-CATALYZED SYNTHESIS OF BIARYL COMPOUNDS IN WATER CHICAGO DISCOVERY SOLUTIONS, LLC (US) 2016-09-15 US disclosed
US-20160115138-A1 Inhibitors of Cholesterol Ester Transfer Protein CONCERT PHARMACEUTICALS, INC. 2016-04-28 US disclosed
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
EP-2985022-A1 PROCESS FOR SYNTHESIZING A CETP INHIBITOR Merck Sharp & Dohme Corp. (US) 2016-02-17 EP disclosed
US-9233938-B2 Inhibitors of cholesterol ester transfer protein CONCERT PHARMACEUTICALS, INC. (US) 2016-01-12 US disclosed
US-9212118-B2 Synthesis of intermediates for preparing anacetrapib and derivatives thereof LEK PHARMACEUTICALS D.D. (SI) 2015-12-15 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
WO-2007136672-A2 SYNTHESIS OF A BIARYL SYNTHETIC INTERMEDIATE MERCK & CO., INC. (US) 2007-11-29 WO disclosed
WO-2007092642-A2 POLYMER FORMULATIONS OF CETP INHIBITORS MERCK & CO., INC. (US) 2007-08-16 WO disclosed
WO-2007081570-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK & CO., INC. (US) 2007-07-19 WO disclosed
WO-2007041494-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK & CO., INC. (US) 2007-04-12 WO disclosed
WO-2007041494-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK & CO., INC. (US) 2007-04-12 WO disclosed
EP-1765793-A1 CETP INHIBITORS Merck and Co., Inc. (US) 2007-03-28 EP disclosed
WO-2007005572-A1 PROCESS FOR SYNTHESIZING A CETP INHIBITOR MERCK & CO., INC. (US) 2007-01-11 WO 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 (6 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 CETP 1/4885NR1I2 67/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885
US-10300471-B2 Ruthenium-catalyzed synthesis of biaryl compounds in water RUVBL2, RUVBL1, CYP2W1 CETP 4403/4885NR1I2 767/4885
US-20160115138-A1 Inhibitors of Cholesterol Ester Transfer Protein CETP, NPC1L1, STARD3 CETP 1/4885NR1I2 245/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885
US-20160263565-A1 RUTHENIUM-CATALYZED SYNTHESIS OF BIARYL COMPOUNDS IN WATER RUVBL2, RUVBL1, CYP2W1 CETP 4403/4885NR1I2 767/4885

“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.