SCHEMBL8744304

SCHEMBL8744304

COC(C)(C)CCCCCC(=O)CCCCCC(C)(C)C=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 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
SCHEMBL8744283 0.98 ALDH1A1 (0.33) ALDH1A1LMNACYP3A4TDP1
SCHEMBL8743234 0.92 ALDH1A1 (0.33) ALDH1A1LMNACYP3A4TDP1
SCHEMBL3283638 0.88 MAPT (0.39) ALDH1A1TDP1MAPTKMT2A
SCHEMBL8742355 0.86 ALDH1A1 (0.31) ALDH1A1LMNACYP3A4TDP1
SCHEMBL3286753 0.86 MAPT (0.35) ALDH1A1TDP1MAPTKMT2A
SCHEMBL8742901 0.82 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL12092657 0.79 ACACB (0.45) ALDH1A1LMNACYP3A4TDP1
SCHEMBL10266608 0.78 TDP1 (0.37) ALDH1A1LMNACYP3A4TDP1MAPT
SCHEMBL10260231 0.78 ACLY (0.49) TDP1MAPTKMT2A
SCHEMBL3278853 0.78 FNTA (0.32) MAPTKMT2A

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 ALDH1A1 2044/4885LMNA 2381/4885CYP3A4 435/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 ALDH1A1 2141/4885LMNA 2334/4885CYP3A4 483/4885

“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.