SCHEMBL6465628

SCHEMBL6465628

CC(C)(CO)CCCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
CPT2 P23786 1/20 0.52
LMNA P02545 2/20 0.50
TSHR P16473 5/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
GPR84 Q9NQS5 8/20 0.46
FFAR4 Q5NUL3 2/20 0.46
AKR1B1 P15121 1/20 0.46
PPARG P37231 7/20 0.44
PPARD Q03181 7/20 0.44
PPARA Q07869 7/20 0.44
HDAC11 Q96DB2 5/20 0.44
PTPN1 P18031 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TLR2 O60603 2/20 0.44
FABP4 P15090 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44

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
SCHEMBL7083650 0.98 FFAR1 (0.56) FFAR1TDP1CPT2LMNATSHR
Adipic Acid SCHEMBL3475386 0.88 LMNA (0.58) FFAR1TDP1LMNATSHRNFKB1
Adipic Acid SCHEMBL230983 0.88 LMNA (0.58) FFAR1TDP1LMNATSHRNFKB1
SCHEMBL30503121 0.86 TDP1 (0.62) FFAR1TDP1CPT2LMNATSHR
SCHEMBL30302267 0.86 TSHR (0.60) FFAR1TDP1LMNATSHRNFKB1
Sebacic Acid SCHEMBL11387993 0.86 TSHR (0.60) FFAR1TDP1LMNATSHRNFKB1
Octanedioate SCHEMBL31742463 0.86 TSHR (0.60) FFAR1TDP1LMNATSHRNFKB1
Pimelic Acid SCHEMBL30288546 0.86 TSHR (0.60) FFAR1TDP1LMNATSHRNFKB1
SCHEMBL29733581 0.86 TDP1 (0.62) FFAR1TDP1CPT2LMNATSHR
SCHEMBL29227501 0.86 TSHR (0.60) FFAR1TDP1LMNATSHRNFKB1

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-1497247-A2 MIMICS OF ACYL COENZYME-A, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2005-01-19 EP disclosed
US-20030236212-A1 Functionalized long chain derivatives as acyl coenzyme-A mimics, compositions thereof, and methods of cholesterol management and related uses ESPERION THERAPEUTICS 2003-12-25 US disclosed
WO-2003087108-A2 MIMICS OF ACYL COENZYME-A, 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-20030236212-A1 Functionalized long chain derivatives as acyl coenzyme-A mimics, compositions thereof, and methods of cholesterol management and related uses ACADM, COASY, ACACA FFAR1 120/4885TDP1 2838/4885CPT2 19/4885

“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.