SCHEMBL1421785

SCHEMBL1421785

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

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.43
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
CYP2C19 P33261 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
SCHEMBL2203045 0.83 CETP (0.47) CETPCYP4F2CYP4A11CYP2C19
SCHEMBL1421653 0.81 CETP (0.49) CETPCYP4F2CYP4A11CYP2C19
SCHEMBL1421573 0.80 CETP (0.45) CETPCYP4F2CYP4A11CYP2C19
SCHEMBL1421937 0.79 CETP (0.44) CETPCYP4F2CYP4A11CYP2C19
SCHEMBL9972631 0.78 CETP (0.47) CETPCYP2C19
SCHEMBL30736687 0.78 CYP4F2 (0.41) CYP4F2CYP4A11CYP2C19
SCHEMBL1422218 0.77 CETP (0.43) CETPCYP4F2CYP4A11CYP2C19
SCHEMBL3295173 0.76 CYP4F2 (0.38) CYP4F2CYP4A11CYP2C19
SCHEMBL727220 0.75 CYP2C19 (0.50) CETPCYP2C19
SCHEMBL1764252 0.75 CYP4F2 (0.42) CYP4F2CYP4A11CYP2C19

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 5 patents. 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 disclosed
US-8071803-B2 Process HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US disclosed
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 disclosed
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 disclosed
US-20090312569-A1 NOVEL PROCESS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US 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-20090312569-A1 NOVEL PROCESS CYP3A5, MCCC2, CYP3A4 CETP 683/4885CYP4F2 76/4885CYP4A11 8/4885

“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.