SCHEMBL3045377

SCHEMBL3045377

CC(C)(CCO)CCCCOCCCCC(C)(C)CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.60
CPT2 P23786 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
KDM4E B2RXH2 1/20 0.37
BHMT Q93088 3/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
TSHR P16473 2/20 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
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL3045517 0.93 TDP1 (0.60) FFAR1CPT2TDP1CYP4F2CYP4A11
SCHEMBL3042960 0.93 TDP1 (0.60) FFAR1CPT2TDP1CYP4F2CYP4A11
SCHEMBL3094878 0.92 TDP1 (0.63) FFAR1CPT2TDP1CYP4F2CYP4A11
SCHEMBL3039748 0.92 TDP1 (0.63) FFAR1CPT2TDP1CYP4F2CYP4A11
SCHEMBL5527523 0.89 FFAR1 (0.76) FFAR1CPT2TDP1CYP4F2CYP4A11
SCHEMBL6256234 0.89 FFAR1 (0.69) FFAR1CPT2TDP1CYP4F2CYP4A11
SCHEMBL3045520 0.88 FFAR1 (0.62) FFAR1CPT2TDP1CYP4F2CYP4A11
SCHEMBL3037397 0.85 MEN1 (0.41) FFAR1CPT2TDP1CYP4F2CYP4A11
SCHEMBL6713035 0.83 FFAR1 (0.65) FFAR1CPT2TDP1CYP4F2CYP4A11
SCHEMBL6261546 0.83 MEN1 (0.40) FFAR1CPT2TDP1CYP4F2CYP4A11

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 27 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 claimed
US-7709515-B2 Compositions comprising ether compounds and pharmaceutical uses therefor ESPERION THERAPEUTICS, INC. (US) 2010-05-04 US claimed
EP-1862444-A2 Ether compounds, compositions, and uses thereof Esperion Therapeutics, Inc. (US) 2007-12-05 EP claimed
EP-1849760-A1 Ether compounds, compositions, and uses thereof Esperion Therapeutics Inc. (US) 2007-10-31 EP claimed
US-7192940-B2 Ether compounds ESPERION THERAPEUTICS, INC. (US) 2007-03-20 US claimed
US-20050119333-A1 Compositions comprising ether compounds and pharmaceutical uses therefor ESPERION THERAPEUTICS, INC. 2005-06-02 US claimed
US-20050004082-A1 Therapy for cardiovascular, metabolism and cholesterol disorders ESPERION THERAPEUTICS, INC. 2005-01-06 US claimed
US-6831105-B2 For therapy and prophylaxis of cardiovascular diseases, dyslipidemias, dysproteinemias, and glucose metabolism disorders ESPERION THERAPEUTICS, INC. 2004-12-14 US claimed
US-20030149094-A1 Compositions comprising ether compounds and pharmaceutical uses therefor ESPERION THERAPEUTICS, INC. 2003-08-07 US claimed
EP-1204626-A4 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF ESPERION THERAPEUTICS INC (US) 2003-05-07 EP claimed
US-20030065195-A1 Ether compounds ESPERION THERAPEUTICS, INC. 2003-04-03 US claimed
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 claimed
JP-2002541129-A 2002-12-03 JP claimed
US-6459003-B1 ETHER COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS, METABOLISM DISORDERS AND CHOLESTEROL DISORDERS ESPERION THERAPEUTICS, INC. 2002-10-01 US claimed
EP-1204626-A1 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF Esperion Therapeutics Inc. (US) 2002-05-15 EP claimed
WO-2000059855-A1 ETHER COMPOUNDS, COMPOSITIONS, AND USES THEREOF ESPERION THERAPEUTICS, INC. (US) 2000-10-12 WO claimed
US-20100256209-A1 COMPOSITIONS COMPRISING ETHER COMPOUNDS AND PHARMACEUTICAL USES THEREFOR ESPERION THERAPEUTICS, INC. 2010-10-07 US disclosed
US-20100256209-A1 COMPOSITIONS COMPRISING ETHER COMPOUNDS AND PHARMACEUTICAL USES THEREFOR ESPERION THERAPEUTICS, INC. 2010-10-07 US 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

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 FFAR1 43/4885CPT2 93/4885TDP1 1713/4885
US-20030065195-A1 Ether compounds GPR119, PPARG, PNLIP FFAR1 92/4885CPT2 46/4885TDP1 1741/4885
US-20050004082-A1 Therapy for cardiovascular, metabolism and cholesterol disorders GPR119, NR1H2, PC FFAR1 95/4885CPT2 30/4885TDP1 1397/4885
US-20030149094-A1 Compositions comprising ether compounds and pharmaceutical uses therefor GPR119, ECHS1, PNLIP FFAR1 43/4885CPT2 93/4885TDP1 1713/4885
US-20050119333-A1 Compositions comprising ether compounds and pharmaceutical uses therefor GPR119, ECHS1, PNLIP FFAR1 43/4885CPT2 93/4885TDP1 1713/4885

“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.