SCHEMBL6259778

SCHEMBL6259778

CC(C)(CO)CCCOCc1cccc(COCCCC(C)(C)CO)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CHRM3 P20309 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
GBA1 P04062 2/20 0.34
LCT P09848 2/20 0.34
SI P14410 2/20 0.34
UGCG Q16739 2/20 0.34
GBA2 Q9HCG7 2/20 0.34
MGAM O43451 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
TACR1 P25103 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
SCHEMBL6714707 0.95 L3MBTL1 (0.38) NAAAL3MBTL1KDM4EPOLBCHRM3
SCHEMBL4059251 0.89 KDM4E (0.47) L3MBTL1KDM4EPOLBCHRM3TDP1
SCHEMBL6255343 0.85 LTB4R (0.43) L3MBTL1TDP1
SCHEMBL31032432 0.84 L3MBTL1 (0.47) L3MBTL1KDM4EPOLBCHRM3TDP1
SCHEMBL6716181 0.78 PPARA (0.51) L3MBTL1TDP1
SCHEMBL3951532 0.78 KDM4E (0.50) NAAAL3MBTL1KDM4EPOLBCHRM3
SCHEMBL6261393 0.78 PPARA (0.38) TDP1
SCHEMBL22922065 0.76 LPL (0.41)
SCHEMBL13210357 0.76 KDM4E (0.49) L3MBTL1KDM4EPOLBTDP1GBA1
SCHEMBL6256595 0.75 KDM4E (0.38) L3MBTL1KDM4EPOLBCHRM3TDP1

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 6 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 claimed
JP-2004529069-A 2004-09-24 JP claimed
EP-1351916-A2 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-10-15 EP claimed
US-20030018013-A1 Ether compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-01-23 US claimed
WO-2002030863-A2 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO claimed
US-6713507-B2 CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; ALZHEIMER'S DISEASE ESPERION THERAPEUTICS, INC. 2004-03-30 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-20030018013-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 NAAA 2130/4885L3MBTL1 3517/4885KDM4E 1125/4885

“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.