SCHEMBL727220

SCHEMBL727220

CCC(CC)CC1(C(=O)O)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.50
CETP P11597 7/20 0.49
MME P08473 7/20 0.35
TBXAS1 P24557 2/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL18602061 0.89 CYP2C19 (0.44) CYP2C19CETPMME
SCHEMBL16908421 0.86 CYP2C19 (0.42) CYP2C19CETPMMEALDH1A1TSHR
SCHEMBL1045249 0.86 CETP (0.43) CYP2C19CETPMME
SCHEMBL810162 0.84 CETP (0.49) CYP2C19CETPMME
SCHEMBL781736 0.82 CETP (0.48) CYP2C19CETPMMEALDH1A1SMN1; SMN2
SCHEMBL1534074 0.82 CETP (0.48) CYP2C19CETPMME
SCHEMBL9971636 0.82 CETP (0.48) CYP2C19CETPMME
SCHEMBL9974581 0.82 CETP (0.48) CYP2C19CETPMME
SCHEMBL2203045 0.81 CETP (0.47) CYP2C19CETPMME
SCHEMBL9972631 0.79 CETP (0.47) CYP2C19CETPMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297081-B1 1-(2-ETHYL-BUTYL)-CYCLOHEXANECARBOXYLIC ACID ESTER AS AN INTERMEDIATE IN THE PREPARATION OF PHARMACEUTICALLY ACTIVE AMIDES HOFFMANN LA ROCHE (CH) 2017-03-08 EP claimed
CN-102066311-B 1-(2-ethyl-butyl) -cyclohexanecarboxylic acid ester as an intermediate in the preparation of pharmaceutically active amides HOFFMANN LA ROCHE 2014-07-02 CN claimed
EP-2094636-B1 PROCESS FOR PREPARING 1-(2-ETHYL-BUTYL)-CYCLOHEXANECARBOXYLIC ACID HOFFMANN LA ROCHE (CH) 2012-10-24 EP claimed
US-8071803-B2 Process HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US claimed
JP-2011524399-A 2011-09-01 JP claimed
CN-102066311-A 1-(2-ethyl-butyl) -cyclohexanecarboxylic acid ester as an intermediate in the preparation of pharmaceutically active amides HOFFMANN LA ROCHE 2011-05-18 CN claimed
EP-2297081-A1 1-(2-ETHYL-BUTYL) -CYCLOHEXANECARBOXYLIC ACID ESTER AS AN INTERMEDIATE IN THE PREPARATION OF PHARMACEUTICALLY ACTIVE AMIDES F. Hoffmann-La Roche AG (CH) 2011-03-23 EP claimed
US-7863474-B2 Process for the preparation of CETP(1) HOFFMANN-LA ROCHE INC. (US) 2011-01-04 US claimed
WO-2009153181-A1 1-(2-ETHYL-BUTYL) -CYCLOHEXANECARBOXYLIC ACID ESTER AS AN INTERMEDIATE IN THE PREPARATION OF PHARMACEUTICALLY ACTIVE AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO claimed
US-20090312569-A1 NOVEL PROCESS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US claimed
US-20090240080-A1 PROCESS FOR THE PREPARATION OF CETP(1) HOFFMANN URSULA 2009-09-24 US claimed
EP-2094636-A1 PROCESS FOR PREPARING 1-(2-ETHYL-BUTYL)-CYCLOHEXANECARBOXYLIC ACID F. Hoffmann-Roche AG (CH) 2009-09-02 EP claimed
US-20080154059-A1 PROCESS FOR THE PREPARATION OF CETP(1) HOFFMANN-LA ROCHE INC. 2008-06-26 US claimed
WO-2008074677-A1 PROCESS FOR PREPARING 1- (2-ETHYL-BUTYL) -CYCLOHEXANECARBOXYLIC ACID F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO claimed
EP-1935867-A1 Process for preparing 1-(2-ethyl-butyl)-cyclohexanecarboxylic acid F. HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP claimed
CN-111073974-B Genetic markers for predicting responsiveness to treatment 豪夫迈·罗氏有限公司 2024-04-09 CN disclosed
US-20230151424-A1 GENETIC MARKERS FOR PREDICTING RESPONSIVENESS TO THERAPY WITH HDL-RAISING OR HDL MIMICKING AGENT HOFFMANN-LA ROCHE INC. (US) 2023-05-18 US disclosed
US-20030092708-A1 Anticholesterol agents; cardiovascular disorders; antilipemic agents JAPAN TOBACCO, INC., A JAPAN CORPORATION 2003-05-15 US disclosed
US-6426365-B1 Anticholesterol agents; Cholesterol ester transfer protein (CETP); including dalcetrapib, S-(2-(((1-(2-ethylbutyl)cyclohexyl)carbonyl)amino) phenyl) 2-methylpropanethioate JAPAN TOBACCO INC. (JP) 2002-07-30 US disclosed
EP-1020439-A1 CETP ACTIVITY INHIBITORS JAPAN TOBACCO INC. (JP) 2000-07-19 EP 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-20080154059-A1 PROCESS FOR THE PREPARATION OF CETP(1) CETP, CES1, CPA1 CYP2C19 900/4885CETP 1/4885MME 417/4885
US-20030092708-A1 Anticholesterol agents; cardiovascular disorders; antilipemic agents CETP, CES1, PON1 CYP2C19 1065/4885CETP 1/4885MME 466/4885
US-20090240080-A1 PROCESS FOR THE PREPARATION OF CETP(1) CETP, CES1, CPA1 CYP2C19 900/4885CETP 1/4885MME 417/4885
US-20230151424-A1 GENETIC MARKERS FOR PREDICTING RESPONSIVENESS TO THERAPY WITH HDL-RAISING OR HDL MIMICKING AGENT CETP, HDLBP, APOB CYP2C19 1830/4885CETP 1/4885MME 581/4885
US-20090312569-A1 NOVEL PROCESS CYP3A5, MCCC2, CYP3A4 CYP2C19 35/4885CETP 683/4885MME 388/4885

“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.