SCHEMBL6463236

SCHEMBL6463236

CC(C)(CO)CCCCN(CCCCC(C)(C)CO)OC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
F2 P00734 1/20 0.36
SLC6A3 Q01959 2/20 0.35
HTR1A P08908 1/20 0.35
SCN1A P35498 1/20 0.35

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
SCHEMBL27851129 0.79 LMNA (0.50) TDP1TSHRALDH1A1MAPK1LMNA
SCHEMBL28429762 0.78 CES2 (0.49) TDP1TSHRALDH1A1MAPK1LMNA
SCHEMBL11850307 0.77 LMNA (0.51) TDP1TSHRCYP2D6CYP1A2CYP2C19
SCHEMBL3960287 0.77 TDP1 (0.64) TDP1TSHRALDH1A1HSD17B10CYP2D6
SCHEMBL10750168 0.75 SMN1; SMN2 (0.49) TDP1TSHRHDAC3HDAC1HDAC2
SCHEMBL28026405 0.74 LMNA (0.55) TDP1TSHRALDH1A1HSD17B10CYP2D6
SCHEMBL1164342 0.73 LMNA (0.59) TDP1TSHRALDH1A1HSD17B10CYP2D6
SCHEMBL19749129 0.72 ADRA2C (0.48) TDP1TSHRALDH1A1MAPK1HIF1A
SCHEMBL10748521 0.72 CNR2 (0.46) HDAC3HDAC1HDAC2HDAC6LMNA
SCHEMBL10748891 0.72 CNR2 (0.46) HDAC3HDAC1HDAC2HDAC6LMNA

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 TDP1 2838/4885TSHR 3209/4885ALDH1A1 1111/4885

“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.