SCHEMBL6254552

SCHEMBL6254552

CCC(C)OC(=O)C(C)(C)CCCCCCCCCCCC(C)(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.50
ACACA Q13085 1/20 0.50
ACLY P53396 1/20 0.47
CYP4F2 P78329 6/20 0.44
CYP4A11 Q02928 6/20 0.44
TBXAS1 P24557 2/20 0.37
PPARA Q07869 5/20 0.35
LTB4R Q15722 2/20 0.33
TTR P02766 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C8 P10632 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
ADRA1A P35348 1/20 0.33
PPARG P37231 1/20 0.33
HTR2B P41595 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6257317 1.00 ACACB (0.50) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL186369 0.93 ACACB (0.44) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL3279764 0.93 ACACB (0.44) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL187114 0.93 ACACB (0.44) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL185906 0.91 ACACB (0.41) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL186685 0.90 ACACB (0.64) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL186123 0.88 ACACB (0.40) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL186367 0.87 ACACB (0.45) ACACBACACAACLYCYP4F2CYP4A11
SCHEMBL7021398 0.83 KMT2A (0.45) CYP4F2CYP4A11PPARATSHRPPARG
SCHEMBL19018787 0.80 ELANE (0.41) CYP4F2CYP4A11CHRM1CYP2C9TSHR

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
WO-2005068410-A1 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2004-09-30 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-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 ACACB 173/4885ACACA 118/4885ACLY 706/4885

“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.