SCHEMBL8744328

SCHEMBL8744328

CC(C)(C)CCCCCC(=O)CCCCCC(C)(C)OP(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.41
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
GGPS1 O95749 6/20 0.31
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
FDPS P14324 8/20 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
SCHEMBL8744303 0.98 SMPD1 (0.39) SMPD1
SCHEMBL3280164 0.95 SMPD1 (0.44) SMPD1FFAR1CPT2TDP1MAPT
SCHEMBL3280534 0.93 SMPD1 (0.42) SMPD1FFAR1CPT2TDP1MAPT
SCHEMBL8743082 0.92 SMPD1 (0.35) SMPD1
SCHEMBL3283840 0.86 SMPD1 (0.38) SMPD1S1PR2S1PR4S1PR1S1PR3
SCHEMBL8742389 0.85 SMPD1 (0.35) SMPD1
SCHEMBL13095381 0.84 SMPD1 (0.53) SMPD1FFAR1CPT2TDP1GGPS1
SCHEMBL3280344 0.82 SMPD1 (0.38) SMPD1S1PR2S1PR4S1PR1S1PR3
SCHEMBL8742968 0.81 SMPD1 (0.33) SMPD1
SCHEMBL22224353 0.81 ALDH1A1 (0.42) SMPD1FFAR1CPT2TDP1KMT2A

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 1536/4885FFAR1 137/4885CPT2 88/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 SMPD1 1298/4885FFAR1 126/4885CPT2 102/4885

“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.