SCHEMBL3044735

SCHEMBL3044735

CC(C)(O)CCCOCCCC(C)(C)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.36
ALOX15 P16050 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
CES1 P23141 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL6257222 0.97 ALDH1A1 (0.47) ALDH1A1TSHRALOX15HRH3MEN1
SCHEMBL3035015 0.92 ALDH1A1 (0.47) ALDH1A1TSHRHRH3MEN1THRB
SCHEMBL6254588 0.89 ALDH1A1 (0.45) ALDH1A1TSHRHRH3MEN1THRB
SCHEMBL18028838 0.87 ALDH1A1 (0.43) ALDH1A1TSHRHRH3THRBCES1
SCHEMBL6257984 0.86 ALDH1A1 (0.47) ALDH1A1TSHRHRH3MEN1THRB
SCHEMBL9784800 0.83 TSHR (0.50) ALDH1A1TSHRHRH3MEN1THRB
SCHEMBL28461985 0.82 ALDH1A1 (0.50) ALDH1A1
SCHEMBL9315416 0.81 ALDH1A1 (0.56) ALDH1A1TSHRMEN1KMT2A
SCHEMBL20106532 0.81 ALDH1A1 (0.38) ALDH1A1HRH3MEN1THRBHTT
SCHEMBL20106526 0.81 ALDH1A1 (0.38) ALDH1A1HRH3MEN1THRBHTT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256209-A1 COMPOSITIONS COMPRISING ETHER COMPOUNDS AND PHARMACEUTICAL USES THEREFOR ESPERION THERAPEUTICS, INC. 2010-10-07 US disclosed
US-7709515-B2 Compositions comprising ether compounds and pharmaceutical uses therefor ESPERION THERAPEUTICS, INC. (US) 2010-05-04 US disclosed
CN-100532304-C Method of making and using a point defect free composition and coated products thereof HEXION SPECIALTY CHEMICALS INC (US) 2009-08-26 CN disclosed
EP-1204626-B1 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF ESPERION THERAPEUTICS INC (US) 2008-01-16 EP disclosed
EP-1862444-A2 Ether compounds, compositions, and uses thereof Esperion Therapeutics, Inc. (US) 2007-12-05 EP disclosed
EP-1849760-A1 Ether compounds, compositions, and uses thereof Esperion Therapeutics Inc. (US) 2007-10-31 EP disclosed
US-7192940-B2 Ether compounds ESPERION THERAPEUTICS, INC. (US) 2007-03-20 US disclosed
CN-1653013-A Method of making and using a point defect free composition and coated products thereof BORDEN CHEM INC (US) 2005-08-10 CN disclosed
US-6909014-B2 Intermediates for the synthesis of ether compounds ESPERION THERAPEUTICS, INC. (US) 2005-06-21 US disclosed
US-20050119333-A1 Compositions comprising ether compounds and pharmaceutical uses therefor ESPERION THERAPEUTICS, INC. 2005-06-02 US disclosed
US-6646170-B2 Hydroxy derivatives; cardiovascular diseases, dyslipidemias, dysproteinemias, glucose metabolism disorders ESPERION THERAPEUTICS, INC. 2003-11-11 US disclosed
US-20030149094-A1 Compositions comprising ether compounds and pharmaceutical uses therefor ESPERION THERAPEUTICS, INC. 2003-08-07 US disclosed
US-20030125559-A1 Methods for synthesizing ether compounds and intermediates therefor ESPERION THERAPEUTICS, INC. 2003-07-03 US disclosed
EP-1204626-A4 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF ESPERION THERAPEUTICS INC (US) 2003-05-07 EP disclosed
US-20030065195-A1 Ether compounds ESPERION THERAPEUTICS, INC. 2003-04-03 US disclosed
US-6506799-B1 Treating or preventing a cardiovascular disease in a patient, comprising administering to a patient in need of such treatment or prevention a therapeutically effective amount of 6-(6-hydroxy-5,5-dimethylhexyloxy)-2,2-dimethyl-hexan-1-ol and ESPERION THERAPEUTICS, INC. 2003-01-14 US disclosed
US-6459003-B1 ETHER COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS, METABOLISM DISORDERS AND CHOLESTEROL DISORDERS ESPERION THERAPEUTICS, INC. 2002-10-01 US disclosed
US-6410802-B1 ETHERIFICATION IN PRESENCE OF BASE ESPERION THERAPEUTICS, INC. 2002-06-25 US disclosed
EP-1204626-A1 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF Esperion Therapeutics Inc. (US) 2002-05-15 EP disclosed
WO-2000059855-A1 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF ESPERION THERAPEUTICS, INC. (US) 2000-10-12 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 (5 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-20100256209-A1 COMPOSITIONS COMPRISING ETHER COMPOUNDS AND PHARMACEUTICAL USES THEREFOR GPR119, ECHS1, PNLIP ALDH1A1 2677/4885TSHR 2878/4885ALOX15 158/4885
US-20030125559-A1 Methods for synthesizing ether compounds and intermediates therefor ECHS1, GPR119, PC ALDH1A1 1953/4885TSHR 2318/4885ALOX15 143/4885
US-20030065195-A1 Ether compounds GPR119, PPARG, PNLIP ALDH1A1 3016/4885TSHR 2407/4885ALOX15 282/4885
US-20030149094-A1 Compositions comprising ether compounds and pharmaceutical uses therefor GPR119, ECHS1, PNLIP ALDH1A1 2677/4885TSHR 2878/4885ALOX15 158/4885
US-20050119333-A1 Compositions comprising ether compounds and pharmaceutical uses therefor GPR119, ECHS1, PNLIP ALDH1A1 2677/4885TSHR 2878/4885ALOX15 158/4885

“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.