SCHEMBL12064263

SCHEMBL12064263

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CPB2 Q96IY4 2/20 0.34
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 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 0.84 MEN1 (0.36) MEN1KMT2AALDH1A1NPC1TP53
SCHEMBL2303328 0.80 KMT2A (0.35) MEN1KMT2AALDH1A1NPC1TP53
SCHEMBL186509 0.79 MEN1 (0.35) MEN1KMT2A
SCHEMBL10197050 0.79 MEN1 (0.32) MEN1KMT2A
SCHEMBL6469034 0.79 MEN1 (0.41) MEN1KMT2AALDH1A1
SCHEMBL186524 0.78 MEN1 (0.34) MEN1KMT2A
SCHEMBL6468977 0.78 MEN1 (0.41) MEN1KMT2A
SCHEMBL6256558 0.78 MEN1 (0.36) MEN1KMT2ANPC1RAB9A
SCHEMBL9732458 0.78 MEN1 (0.41) MEN1KMT2AALDH1A1CPB2
SCHEMBL7087522 0.78 MEN1 (0.32) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (1 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-20100137444-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 MEN1 1965/4885KMT2A 1684/4885ALDH1A1 2141/4885

“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.