SCHEMBL10197049

SCHEMBL10197049

CCOC(=O)C(CCCCC(C)(C)CO)(CCCCC(C)(C)CO)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.47
CYP4A11 Q02928 4/20 0.47
PKM P14618 3/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.33
FFAR1 O14842 1/20 0.32

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
SCHEMBL186370 0.91 CYP4F2 (0.51) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL15945344 0.83 CYP4F2 (0.44) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL12090949 0.81 MEN1 (0.58) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL13130109 0.78 PKM (0.52) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL8053447 0.76 MEN1 (0.50) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL31437002 0.75 MEN1 (0.42) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL12092744 0.75 MEN1 (0.46) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL186111 0.73 CYP4F2 (0.64) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL186986 0.73 CYP4F2 (0.59) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL14600833 0.73 MEN1 (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140228439-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.