SCHEMBL3043003

SCHEMBL3043003

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.39
ALOX15 P16050 1/20 0.39
FFAR3 O14843 1/20 0.38
CYP1A2 P05177 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
GMNN O75496 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
TP53 P04637 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37

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 SCHEMBL6495162 0.91 LMNA (0.36) LMNASMN1; SMN2SLC22A6ALOX15FFAR3
SCHEMBL2232097 0.88 CYP1A2 (0.39) LMNASMN1; SMN2CYP1A2MAPK1MEN1
SCHEMBL28068435 0.82 MMP12 (0.43) LMNASMN1; SMN2SLC22A6FFAR3CYP1A2
SCHEMBL25517 0.82
SCHEMBL25825 0.80 LMNA (0.38) LMNASMN1; SMN2SLC22A6FFAR3CYP1A2
SCHEMBL5672245 0.80
SCHEMBL3030610 0.80 CHRM1 (0.42) LMNASMN1; SMN2SLC22A6ALOX15CYP1A2
Ammonia Solution, Strong SCHEMBL22607979 0.80 MMP12 (0.42) LMNASMN1; SMN2SLC22A6FFAR3CYP1A2
SCHEMBL4458105 0.80 LMNA (0.33) LMNASMN1; SMN2CYP1A2MAPK1MEN1
SCHEMBL10414980 0.78 LMNA (0.60) LMNASMN1; SMN2ALOX15CYP1A2MAPK1

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 LMNA 2702/4885SMN1; SMN2 2995/4885SLC22A6 2617/4885
US-20030125559-A1 Methods for synthesizing ether compounds and intermediates therefor ECHS1, GPR119, PC LMNA 2210/4885SMN1; SMN2 2784/4885SLC22A6 3201/4885
US-20030065195-A1 Ether compounds GPR119, PPARG, PNLIP LMNA 2498/4885SMN1; SMN2 2175/4885SLC22A6 3116/4885
US-20050004082-A1 Therapy for cardiovascular, metabolism and cholesterol disorders GPR119, NR1H2, PC LMNA 2683/4885SMN1; SMN2 2218/4885SLC22A6 2600/4885
US-20030149094-A1 Compositions comprising ether compounds and pharmaceutical uses therefor GPR119, ECHS1, PNLIP LMNA 2702/4885SMN1; SMN2 2995/4885SLC22A6 2617/4885
US-20050119333-A1 Compositions comprising ether compounds and pharmaceutical uses therefor GPR119, ECHS1, PNLIP LMNA 2702/4885SMN1; SMN2 2995/4885SLC22A6 2617/4885

“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.