SCHEMBL6255665

SCHEMBL6255665

CC(C)(CCOCCCOCCC(C)(C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
NAAA Q02083 1/20 0.40
MEN1 O00255 1/20 0.40
MMP8 P22894 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40

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
SCHEMBL6714511 0.93 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2L3MBTL1MAPK1
SCHEMBL6258561 0.90 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2L3MBTL1MAPK1
SCHEMBL6261184 0.82 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2L3MBTL1MAPK1
SCHEMBL6261181 0.82 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2L3MBTL1MAPK1
SCHEMBL6258983 0.82 MAOB (0.51) ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL1273294 0.82 CYP4F2 (0.53) ALDH1A1LMNASMN1; SMN2L3MBTL1MAPK1
SCHEMBL4102278 0.82 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2L3MBTL1MAPK1
SCHEMBL22812898 0.82 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2L3MBTL1MAPK1
SCHEMBL6393090 0.81 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2L3MBTL1MAPK1
SCHEMBL2152137 0.81 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2L3MBTL1MAPK1

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 ALDH1A1 3551/4885LMNA 2177/4885SMN1; SMN2 2495/4885
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 ALDH1A1 3551/4885LMNA 2177/4885SMN1; SMN2 2495/4885

“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.