SCHEMBL10197050

SCHEMBL10197050

CCOC(=O)C(CCCCC(C)(C)CC)(CCCCC(C)(C)COC1CCCCO1)C(C)=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP4F2 P78329 2/20 0.30
CYP4A11 Q02928 2/20 0.30
THRB P10828 1/20 0.30
PKM P14618 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
SCHEMBL186143 0.91 MEN1 (0.36) MEN1KMT2ACYP4F2CYP4A11THRB
SCHEMBL3283171 0.81 MEN1 (0.35) MEN1KMT2ACYP4F2CYP4A11THRB
SCHEMBL12064263 0.79 MEN1 (0.35) MEN1KMT2A
SCHEMBL3074618 0.79 MEN1 (0.39) MEN1KMT2ACYP4F2CYP4A11THRB
SCHEMBL2303328 0.76 KMT2A (0.35) MEN1KMT2A
SCHEMBL4200419 0.75 MEN1 (0.39) MEN1KMT2A
SCHEMBL6469034 0.74 MEN1 (0.41) MEN1KMT2A
SCHEMBL11110959 0.74 MEN1 (0.41) MEN1KMT2ACYP4F2CYP4A11
SCHEMBL25331145 0.74 MEN1 (0.44) MEN1KMT2ACYP4F2CYP4A11THRB
SCHEMBL6468977 0.74 MEN1 (0.41) MEN1KMT2A

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 MEN1 2174/4885KMT2A 1682/4885CYP4F2 999/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 MEN1 1965/4885KMT2A 1684/4885CYP4F2 1045/4885

“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.