SCHEMBL3278342

SCHEMBL3278342

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 3/20 0.45
PKM P14618 3/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.40
MMP8 P22894 2/20 0.39
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.35
AMPD3 Q01432 1/20 0.33
PIN1 Q13526 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 2/20 0.32
ALDH1A1 P00352 1/20 0.31
ABCB11 O95342 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 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
SCHEMBL3278503 0.91 CYP4F2 (0.49) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL31650821 0.84 CYP4F2 (0.44) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL11300530 0.84 CYP4F2 (0.44) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL3278285 0.81 CYP4F2 (0.60) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL12594198 0.81 CYP4F2 (0.47) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL1855323 0.81 CYP4F2 (0.42) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL185905 0.80 CYP4F2 (0.68) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL3286744 0.80 CYP4F2 (0.63) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL186836 0.80 CYP4F2 (0.58) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL187405 0.80 CYP4F2 (0.63) CYP4F2CYP4A11PKMTHRBHTT

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.