Ethyl Acetate

Ethyl Acetate

SCHEMBL4477186

CCCCCCc1ccccc1.CCOC(C)=O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.53
PPARA Q07869 3/20 0.53
ALDH1A1 P00352 3/20 0.51
KCNH2 Q12809 1/20 0.51
RARB P10826 4/20 0.50
MAPT P10636 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MEN1 O00255 1/20 0.50
RARA P10276 1/20 0.50
MTOR P42345 1/20 0.50
KMT2A Q03164 1/20 0.50
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
CETP P11597 1/20 0.49

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
Ethyl Acetate SCHEMBL11321872 0.98 PPARG (0.52) PPARGPPARAALDH1A1KCNH2RARB
SCHEMBL27676149 0.88 ALDH1A1 (0.54) PPARGPPARAALDH1A1KCNH2RARB
Acetic Acid Butyl Ester SCHEMBL11329285 0.88 ALDH1A1 (0.55) PPARGPPARAALDH1A1KCNH2RARB
Ethyl Acetate SCHEMBL1465262 0.87 THRB (0.53) ALDH1A1RARBMAPTMEN1RARA
Ethyl Acetate SCHEMBL718108 0.87 THRB (0.53) ALDH1A1RARBMAPTMEN1RARA
Acetic Acid Methyl Ester SCHEMBL27476027 0.87 ALDH1A1 (0.54) PPARGPPARAALDH1A1KCNH2RARB
Acetic Acid Methyl Ester SCHEMBL27476029 0.87 ALDH1A1 (0.54) PPARGPPARAALDH1A1KCNH2RARB
Acetic Acid Methyl Ester SCHEMBL27492060 0.87 ALDH1A1 (0.54) PPARGPPARAALDH1A1KCNH2RARB
Acetic Acid SCHEMBL27621705 0.86 ALDH1A1 (0.61) ALDH1A1KCNH2RARBMAPTRXFP1
Acetic Acid SCHEMBL27798118 0.86 ALDH1A1 (0.61) ALDH1A1KCNH2RARBMAPTRXFP1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281120-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
EP-1961745-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 EP disclosed
US-5070206-A INHIBITORS OF 3-HYDROXY-3-METHYLGLUTARYL COENZYME A REDUCTASE; ANTICHOLESTEROL, ANTILIPEMIC BRISTOL-MYERS COMPANY (US) 1991-12-03 US disclosed
US-5010205-A Antihypercholesterolemic tetrazol-1-yl intermediates BRISTOL-MYERS COMPANY (US) 1991-04-23 US disclosed
EP-0355820-A1 Antihypercholesterolemic tetrazol-1-yl compounds Bristol-Myers Squibb Company (US) 1990-02-28 EP disclosed
US-4870187-A ANTILIPEMIC, ATHEROSCLEROSIS BRISTOL-MYERS COMPANY (US) 1989-09-26 US disclosed
US-4212974-A POLYMER STABILIZERS SANKYO COMPANY LIMITED (JP) 1980-07-15 US disclosed
US-4141883-A Stabilization of synthetic polymers by penta-or-hexa-substituted 4-piperidinol derivatives SANKYO COMPANY, LIMITED (JP) 1979-02-27 US disclosed
US-4125533-A STABILIZERS SANKYO CO. LTD. (JP) 1978-11-14 US disclosed
US-4016168-A STABILIZERS FOR POLYMERS SANKYO COMPANY LIMITED (JA) 1977-04-05 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 (1 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-20090281120-A1 BICYCLIC HETEROCYCLIC COMPOUND CRHR1, NR3C1, CNR1 PPARG 579/4885PPARA 1000/4885ALDH1A1 3438/4885

“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.