SCHEMBL6258960

SCHEMBL6258960

CC(C)(O)CCOCc1ccc(COCCC(C)(C)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
CHRM3 P20309 9/20 0.38
ALDH1A1 P00352 2/20 0.38
HRH3 Q9Y5N1 1/20 0.36
TSHR P16473 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
SLC6A2 P23975 1/20 0.36
PDE4A P27815 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ESR1 P03372 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL14700467 0.92 AGXT (0.44) PTPN2PTPN1PTPN6CHRM3
SCHEMBL6899908 0.88 ESR1 (0.34) PTPN2PTPN1PTPN6CHRM3ALDH1A1
SCHEMBL15625925 0.88 IDO1 (0.49) PTPN2PTPN1PTPN6ALDH1A1KMT2A
SCHEMBL22667771 0.82 TSHR (0.39) PTPN2PTPN1PTPN6CHRM3HRH3
SCHEMBL6256595 0.79 KDM4E (0.38) PTPN2PTPN1PTPN6CHRM3ALDH1A1
SCHEMBL18698623 0.79 TSHR (0.48) CHRM3HRH3TSHRCHRM2CHRM1
SCHEMBL30964068 0.77 CHRNB2 (0.45) CHRM3CHRM2CHRM1L3MBTL1
SCHEMBL9876082 0.77 PTPN2 (0.50) PTPN2PTPN1PTPN6CHRM3HRH3
SCHEMBL9315416 0.75 ALDH1A1 (0.56) ALDH1A1TSHRKMT2A
SCHEMBL30964082 0.75 FDPS (0.31)

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 7 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
US-20030018013-A1 Ether compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-01-23 US claimed
WO-2005068410-A1 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed
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 PTPN2 903/4885PTPN1 681/4885PTPN6 804/4885
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 PTPN2 903/4885PTPN1 681/4885PTPN6 804/4885

“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.