SCHEMBL3030610

SCHEMBL3030610

CCCC(CC(=O)O)OC(CCC)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.42
AKR1A1 P14550 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GPR84 Q9NQS5 4/20 0.42
CYP1A2 P05177 3/20 0.40
MAPK1 P28482 4/20 0.39
LMNA P02545 4/20 0.39
GMNN O75496 3/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 2/20 0.39

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
Ether SCHEMBL6496227 0.92 GPR84 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2354265 0.89 GPR84 (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9423042 0.86 GPR84 (0.48) GPR84CYP1A2MAPK1LMNAGMNN
SCHEMBL141330 0.84 MMP12 (0.49) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3280835 0.83 GPR84 (0.60) GPR84CYP1A2MAPK1LMNAGMNN
SCHEMBL3285285 0.83 GPR84 (0.60) GPR84CYP1A2MAPK1LMNAGMNN
SCHEMBL31659464 0.82 GPR84 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2245795 0.82 GPR84 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL31571128 0.80 LMNA (0.56) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6381285 0.80 GPR84 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C

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 20 patents. 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
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
US-20050119333-A1 Compositions comprising ether compounds and pharmaceutical uses therefor ESPERION THERAPEUTICS, INC. 2005-06-02 US disclosed
US-20050004082-A1 Therapy for cardiovascular, metabolism and cholesterol disorders ESPERION THERAPEUTICS, INC. 2005-01-06 US disclosed
US-6831105-B2 For therapy and prophylaxis of cardiovascular diseases, dyslipidemias, dysproteinemias, and glucose metabolism disorders ESPERION THERAPEUTICS, INC. 2004-12-14 US disclosed
US-6790953-B2 CARDIOVASCULAR DISORDERS, ANTIDIABETIC AGENTS, ALZHEIMER'S DISEASES, ANTIINFLAMMATOY AGENTS, ANTICANCER AGENTS ESPERION THERAPEUTICS, INC. 2004-09-14 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 (6 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 CHRM1 2979/4885AKR1A1 197/4885CHRM3 2526/4885
US-20030125559-A1 Methods for synthesizing ether compounds and intermediates therefor ECHS1, GPR119, PC CHRM1 2925/4885AKR1A1 141/4885CHRM3 2544/4885
US-20030065195-A1 Ether compounds GPR119, PPARG, PNLIP CHRM1 1851/4885AKR1A1 291/4885CHRM3 1421/4885
US-20050004082-A1 Therapy for cardiovascular, metabolism and cholesterol disorders GPR119, NR1H2, PC CHRM1 1622/4885AKR1A1 270/4885CHRM3 1161/4885
US-20030149094-A1 Compositions comprising ether compounds and pharmaceutical uses therefor GPR119, ECHS1, PNLIP CHRM1 2979/4885AKR1A1 197/4885CHRM3 2526/4885
US-20050119333-A1 Compositions comprising ether compounds and pharmaceutical uses therefor GPR119, ECHS1, PNLIP CHRM1 2979/4885AKR1A1 197/4885CHRM3 2526/4885

“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.