SCHEMBL6460166

SCHEMBL6460166

CCCCCOc1cc(C)c(N)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
THRB P10828 5/20 0.48
THRA P10827 2/20 0.48
PLA2G2A P14555 2/20 0.47
NR5A1 Q13285 1/20 0.44
LTA4H P09960 2/20 0.43
PDIA6 Q15084 1/20 0.42
BLM P54132 1/20 0.41
TP53 P04637 3/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL19480454 0.98 TSHR (0.54) TSHRTHRBTHRAPLA2G2ANR5A1
SCHEMBL7220329 0.98 TSHR (0.54) TSHRTHRBTHRAPLA2G2ANR5A1
SCHEMBL7225914 0.94 TSHR (0.44) TSHRTHRBTHRAPLA2G2ANR5A1
SCHEMBL5028320 0.88 ALDH1A1 (0.42) TSHRLTA4HTP53NPC1LMNA
SCHEMBL6459850 0.82 TP53 (0.47) TSHRTHRBTHRAPLA2G2APDIA6
SCHEMBL15298486 0.82 PLA2G2A (0.53) TSHRTHRBTHRAPLA2G2ANR5A1
SCHEMBL25231418 0.80 TP53 (0.45) TSHRTHRBTHRAPDIA6TP53
SCHEMBL12968131 0.80 TP53 (0.57) TSHRTHRBTHRAPLA2G2ANR5A1
SCHEMBL19141798 0.80 TSHR (0.56) TSHRPLA2G2ANR5A1LTA4HBLM
SCHEMBL21693971 0.79 TSHR (0.56) TSHRTHRBTHRANR5A1LTA4H

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 TSHR 2733/4885THRB 1817/4885THRA 841/4885

“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.