SCHEMBL6466693

SCHEMBL6466693

CCOC(=O)C(C)(C)CCCCOc1cc(C)c(N)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.50
CYP4A11 Q02928 3/20 0.50
PPARA Q07869 6/20 0.39
CYP1A2 P05177 2/20 0.39
TSHR P16473 2/20 0.39
TTR P02766 1/20 0.39
CYP2C8 P10632 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADRA1A P35348 1/20 0.39
PPARG P37231 1/20 0.39
HTR2B P41595 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CISD1 Q9NZ45 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
PDIA6 Q15084 1/20 0.38
THRB P10828 3/20 0.37
THRA P10827 1/20 0.37

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
SCHEMBL10459356 0.78 PPARA (0.49) CYP4F2CYP4A11PPARACYP1A2TSHR
SCHEMBL7046118 0.76 CYP4F2 (0.42) CYP4F2CYP4A11TSHRSMN1; SMN2TBXAS1
SCHEMBL9786355 0.76 CYP4F2 (0.50) CYP4F2CYP4A11PPARACYP1A2TSHR
SCHEMBL9786303 0.76 CYP4F2 (0.54) CYP4F2CYP4A11PPARATSHRPOLB
SCHEMBL9786356 0.75 CYP4F2 (0.52) CYP4F2CYP4A11PPARACYP1A2CYP2C9
SCHEMBL9786260 0.74 CYP4F2 (0.49) CYP4F2CYP4A11PPARATSHRPPARG
SCHEMBL3040974 0.74 CYP4F2 (0.68) CYP4F2CYP4A11PPARACYP1A2TSHR
SCHEMBL22915192 0.74 TDP1 (0.57) CYP4F2CYP4A11PPARACYP1A2TSHR
SCHEMBL6254544 0.74 CYP4F2 (0.85) CYP4F2CYP4A11THRBPKML3MBTL1
SCHEMBL6257314 0.74 CYP4F2 (0.85) CYP4F2CYP4A11THRBPKML3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1495034-A2 MIMICS OF ACYL COENZYME-A COMPRISING PANTOLACTONE AND PANTOTHENIC ACID DERIVATIVES, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics, Inc. (US) 2005-01-12 EP disclosed
US-20030236213-A1 Mimics of acyl coenzyme-A comprising pantolactone and pantothenic acid derivatives, compositions thereof, and methods of cholesterol management and related uses ESPERION THERAPEUTICS 2003-12-25 US disclosed
WO-2003087040-A2 MIMICS OF ACYL COENZYME-A COMPRISING PANTOLACTONE AND PANTOTHENIC ACID DERIVATIVES, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2003-10-23 WO 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-20030236213-A1 Mimics of acyl coenzyme-A comprising pantolactone and pantothenic acid derivatives, compositions thereof, and methods of cholesterol management and related uses COASY, HMGCR, ACACA CYP4F2 1219/4885CYP4A11 193/4885PPARA 14/4885

“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.