SCHEMBL8744303

SCHEMBL8744303

CC(C)(C)CCCCC(=O)CCCCC(C)(C)OP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.39

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
SCHEMBL8744328 0.98 SMPD1 (0.41) SMPD1
SCHEMBL3280534 0.95 SMPD1 (0.42) SMPD1
SCHEMBL8743082 0.93 SMPD1 (0.35) SMPD1
SCHEMBL3280164 0.93 SMPD1 (0.44) SMPD1
SCHEMBL3283840 0.87 SMPD1 (0.38) SMPD1
SCHEMBL8742389 0.86 SMPD1 (0.35) SMPD1
SCHEMBL3280344 0.84 SMPD1 (0.38) SMPD1
SCHEMBL8742968 0.82 SMPD1 (0.33) SMPD1
SCHEMBL22224353 0.82 ALDH1A1 (0.42) SMPD1
SCHEMBL13095381 0.81 SMPD1 (0.53) SMPD1

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 SMPD1 1536/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 SMPD1 1298/4885

“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.