SCHEMBL6256595

SCHEMBL6256595

CC(C)(CO)CCOCc1ccc(COCCC(C)(C)CO)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
CHRM3 P20309 10/20 0.36
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
SLC6A2 P23975 1/20 0.34
PDE4A P27815 1/20 0.34
SLC6A4 P31645 1/20 0.34
OPRM1 P35372 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
ESR1 P03372 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL3951532 0.91 KDM4E (0.50) KDM4EPOLBCHRM3CHRM2CHRM1
SCHEMBL6254532 0.87 PTPN2 (0.37) KDM4EPOLBPTPN2PTPN1PTPN6
SCHEMBL12162462 0.83 KDM4E (0.46) KDM4EPOLBCHRM3CHRM2CHRM1
SCHEMBL4059251 0.80 KDM4E (0.47) KDM4EPOLBCHRM3CHRM2CHRM1
SCHEMBL6258960 0.79 PTPN2 (0.40) PTPN2PTPN1PTPN6CHRM3CHRM2
SCHEMBL31032432 0.79 L3MBTL1 (0.47) KDM4EPOLBCHRM3CHRM2CHRM1
SCHEMBL22667771 0.79 TSHR (0.39) PTPN2PTPN1PTPN6CHRM3KMT2A
SCHEMBL9233739 0.76 KDM4E (0.50) KDM4EPOLBCHRM3CHRM2CHRM1
SCHEMBL23603824 0.75 TSHR (0.44) KDM4EPOLBCHRM3CHRM2CHRM1
SCHEMBL6259778 0.75 NAAA (0.37) KDM4EPOLBCHRM3L3MBTL1TDP1

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 9 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
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2004-09-30 US 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
EP-1351916-A2 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-10-15 EP disclosed
WO-2002030863-A2 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 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 (2 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 KDM4E 1125/4885POLB 4679/4885PTPN2 903/4885
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 KDM4E 1125/4885POLB 4679/4885PTPN2 903/4885

“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.