SCHEMBL3279806

SCHEMBL3279806

CCOC(=O)C(C)(C)CCCCC(=O)CCCCC1(C(=O)OCC)CCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
PKM P14618 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 6/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPY1R P25929 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPK1 P28482 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
SCHEMBL186582 0.87 CYP4F2 (0.45) CYP4F2CYP4A11PKMLMNAPOLB
SCHEMBL186822 0.86 CYP4F2 (0.49) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL187373 0.85 CYP4F2 (0.51) CYP4F2CYP4A11PKMMAPTKMT2A
SCHEMBL3279511 0.85 CYP4F2 (0.52) CYP4F2CYP4A11PKMMAPTKMT2A
SCHEMBL185905 0.81 CYP4F2 (0.68) CYP4F2CYP4A11PKMLMNAMAPT
SCHEMBL3279755 0.79 CYP4F2 (0.71) CYP4F2CYP4A11PKMMAPTKMT2A
SCHEMBL31108899 0.79 CYP4F2 (0.71) CYP4F2CYP4A11PKMMAPTKMT2A
SCHEMBL186368 0.79 CYP4F2 (0.71) CYP4F2CYP4A11PKMMAPTKMT2A
SCHEMBL187113 0.79 CYP4F2 (0.71) CYP4F2CYP4A11PKMMAPTKMT2A
SCHEMBL186940 0.75 CYP4F2 (0.65) CYP4F2CYP4A11PKMMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701931-B1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2018-10-10 EP disclosed
US-8975300-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2015-03-10 US disclosed
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2014-08-14 US disclosed
US-8642653-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2014-02-04 US disclosed
US-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2012-05-24 US disclosed
US-8084498-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2011-12-27 US disclosed
US-20100137444-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2010-06-03 US disclosed
US-7705177-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPUETICS, INC. (US) 2010-04-27 US disclosed
US-7304093-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2007-12-04 US disclosed
US-20070155704-A1 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2007-07-05 US disclosed
US-20070149615-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES DASSEUX JEAN-LOUIS H 2007-06-28 US disclosed
US-20040198814-A1 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2004-10-07 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 (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-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, CETP CYP4F2 999/4885CYP4A11 101/4885PKM 22/4885
US-20070155704-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 CYP4F2 1045/4885CYP4A11 107/4885PKM 25/4885
US-20040198814-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 CYP4F2 1045/4885CYP4A11 107/4885PKM 25/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 CYP4F2 1045/4885CYP4A11 107/4885PKM 25/4885
US-20070149615-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 CYP4F2 1045/4885CYP4A11 107/4885PKM 25/4885
US-20100137444-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 CYP4F2 1045/4885CYP4A11 107/4885PKM 25/4885

“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.