SCHEMBL8743263

SCHEMBL8743263

CCC(C)(C)CCC(=O)CCC(=O)CCC(C)(C)COP(=O)(O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.32
S1PR3 Q99500 9/20 0.32
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
SMPD1 P17405 2/20 0.31
S1PR4 O95977 5/20 0.31
S1PR5 Q9H228 5/20 0.31
S1PR2 O95136 2/20 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
SCHEMBL3285610 0.95 GRM4 (0.32) S1PR1S1PR3LPAR3LPAR1LPAR2
SCHEMBL8742717 0.93 LPAR3 (0.33) S1PR1S1PR3LPAR3LPAR1LPAR2
SCHEMBL3280332 0.88 LPAR3 (0.32) S1PR1S1PR3LPAR3LPAR1LPAR2
SCHEMBL8743769 0.87 LPAR3 (0.33) S1PR1S1PR3LPAR3LPAR1LPAR2
SCHEMBL5705354 0.81 ALDH1A1 (0.32)
SCHEMBL6468999 0.81 FFAR1 (0.38) S1PR1S1PR3LPAR3LPAR1LPAR2
SCHEMBL3279503 0.81 FFAR1 (0.34) S1PR1S1PR3LPAR3LPAR1LPAR2
SCHEMBL3279884 0.81 GRM4 (0.34)
SCHEMBL6467870 0.79 FFAR1 (0.41) S1PR1S1PR3LPAR3LPAR1LPAR2
SCHEMBL6464982 0.79 FFAR1 (0.41) S1PR1S1PR3LPAR3LPAR1LPAR2

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 S1PR1 891/4885S1PR3 1087/4885LPAR3 1636/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 S1PR1 736/4885S1PR3 940/4885LPAR3 1527/4885

“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.