SCHEMBL2203045

SCHEMBL2203045

CCC(CC)CC1(C(=O)OC(=O)C2(CC(CC)CC)CCCCC2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CETP P11597 7/20 0.47
CYP2C19 P33261 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
MME P08473 2/20 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
SCHEMBL1421653 0.87 CETP (0.49) CETPCYP2C19CYP4F2CYP4A11MME
SCHEMBL1421573 0.86 CETP (0.45) CETPCYP2C19CYP4F2CYP4A11
SCHEMBL1421937 0.84 CETP (0.44) CETPCYP2C19CYP4F2CYP4A11MME
SCHEMBL9974581 0.83 CETP (0.48) CETPCYP2C19MME
SCHEMBL1422218 0.83 CETP (0.43) CETPCYP2C19CYP4F2CYP4A11MME
SCHEMBL1421785 0.83 CETP (0.43) CETPCYP2C19CYP4F2CYP4A11
SCHEMBL810162 0.81 CETP (0.49) CETPCYP2C19MME
SCHEMBL727220 0.81 CYP2C19 (0.50) CETPCYP2C19MME
SCHEMBL1421864 0.80 CETP (0.41) CETP
SCHEMBL1534074 0.79 CETP (0.48) CETPCYP2C19MME

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
EP-2150520-B1 NOVEL PROCESS FOR THE PREPARATION OF ACID CHLORIDES HOFFMANN LA ROCHE (CH) 2012-10-31 EP disclosed
EP-1945601-B1 NOVEL PROCESS FOR THE PREPARATION OF ACID CHLORIDES HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7977509-B2 Process for the preparation of acid halides HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-7728171-B2 Process for the production of acid chlorides HOFFMANN-LA ROCHE INC. (US) 2010-06-01 US disclosed
EP-2150520-A1 NOVEL PROCESS FOR THE PREPARATION OF ACID CHLORIDES F. Hoffmann-Roche AG (CH) 2010-02-10 EP disclosed
US-20090192333-A1 PROCESS FOR THE PREPARATION OF ACID HALIDES HOFFMANN URSULA 2009-07-30 US disclosed
US-20090036703-A1 PROCESS FOR THE PRODUCTION OF ACID CHLORIDES HOFFMANN URSULA 2009-02-05 US disclosed
WO-2008132044-A1 NOVEL PROCESS FOR THE PREPARATION OF ACID CHLORIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-11-06 WO disclosed
US-20080269517-A1 PROCESS FOR THE PREPARATION OF ACID HALIDES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-10-30 US disclosed
US-7435849-B2 Process for the production of acid chlorides HOFFMANN-LA ROCHE INC. (US) 2008-10-14 US disclosed
EP-1945601-A1 NOVEL PROCESS FOR THE PREPARATION OF ACID CHLORIDES F. Hoffmann-La Roche AG (CH) 2008-07-23 EP disclosed
WO-2007051714-A1 NOVEL PROCESS FOR THE PREPARATION OF ACID CHLORIDES F. HOFFMANN-LA ROCHE AG (CH) 2007-05-10 WO disclosed
US-20070100154-A1 Process for the production of acid chlorides F. HOFFMANN-LA ROCHE AG (CH) 2007-05-03 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 (4 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-20080269517-A1 PROCESS FOR THE PREPARATION OF ACID HALIDES GBA1, ACAD9, CYP2F1 CETP 3469/4885CYP2C19 72/4885CYP4F2 183/4885
US-20070100154-A1 Process for the production of acid chlorides CLIC1, ACAD9, ASIC1 CETP 3007/4885CYP2C19 56/4885CYP4F2 142/4885
US-20090036703-A1 PROCESS FOR THE PRODUCTION OF ACID CHLORIDES CLIC1, ACAD9, ASIC1 CETP 3007/4885CYP2C19 56/4885CYP4F2 142/4885
US-20090192333-A1 PROCESS FOR THE PREPARATION OF ACID HALIDES GBA1, ACAD9, CYP2F1 CETP 3469/4885CYP2C19 72/4885CYP4F2 183/4885

“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.