SCHEMBL8744309

SCHEMBL8744309

CC(C)CCCCCC(=O)CCCCCC(C)(C)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.36
KDM4A O75164 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
GSTK1 Q9Y2Q3 1/20 0.32
KMT2A Q03164 2/20 0.31
DEGS1 O15121 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL3338320 0.98 KDM4C (0.34) KDM4CKDM4APHF8KDM2AACACB
SCHEMBL8743276 0.89 CA1 (0.31) KMT2AMEN1CYP3A4BLM
SCHEMBL3278271 0.88 MAPT (0.38) KMT2AMAPT
SCHEMBL3283524 0.86 MAPT (0.34) KMT2AMAPT
SCHEMBL12092644 0.83 ACACB (0.47) KDM4CKDM4APHF8KDM2AACACB
SCHEMBL8742341 0.82 CA1 (0.34)
SCHEMBL12092647 0.81 ACACB (0.44) ACACBACACAKMT2AMEN1CYP3A4
SCHEMBL25479052 0.81 KDM4C (0.41) KDM4CKDM4APHF8KDM2AACACB
SCHEMBL3283726 0.79 MAPT (0.30) KMT2AMAPT
SCHEMBL8039193 0.78 KDM4C (0.50) KDM4CKDM4APHF8KDM2AGSTK1

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 KDM4C 1974/4885KDM4A 2086/4885PHF8 1612/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 KDM4C 2140/4885KDM4A 2212/4885PHF8 1662/4885

“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.