Ethyl Acetate

Ethyl Acetate

SCHEMBL11181789

CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.78
LMNA P02545 1/20 0.78
HSD17B10 Q99714 1/20 0.78
TSHR P16473 1/20 0.48
GAA P10253 2/20 0.43
ALOX15 P16050 1/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
SOAT1 P35610 1/20 0.43
TRPA1 O75762 1/20 0.40
GLO1 Q04760 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
PGR P06401 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
Ethyl Acetate SCHEMBL1334416 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRGAA
Ethyl Acetate SCHEMBL10364372 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRGAA
Ethyl Acetate SCHEMBL5413296 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRGAA
Ethyl Acetate SCHEMBL6473397 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRGAA
Ethyl Acetate SCHEMBL5861946 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRGAA
Ethyl Acetate SCHEMBL1715654 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRGAA
Ethyl Acetate SCHEMBL6268192 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRGAA
Ethyl Acetate SCHEMBL1392317 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRGAA
Ethyl Acetate SCHEMBL8740178 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRGAA
Ethyl Acetate SCHEMBL561021 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024096066-A1 CYCLIC PEPTIDE DERIVATIVE COMPOSITION FOR TREATING OR PREVENTING CENTRAL NERVOUS SYSTEM INJURY/DISEASE 第一工業製薬株式会社 2024-05-10 WO disclosed
WO-2024096067-A1 CYCLIC PEPTIDE DERIVATIVE COMPOSITION FOR TREATING OR PREVENTING NEUROPATHIC PAIN AND/OR INFLAMMATORY PAIN 第一工業製薬株式会社 2024-05-10 WO disclosed
WO-2024071370-A1 CYCLIC PEPTIDE DERIVATIVE COMPOSITION FOR TREATING OR PREVENTING EYE DISEASE 第一工業製薬株式会社 2024-04-04 WO disclosed
US-20240092784-A1 CONDENSED HETEROCYCLIC COMPOUND NISSAN CHEMICAL CORPORATION (JP) 2024-03-21 US disclosed
WO-2024029630-A1 CYCLIC PEPTIDE DERIVATIVE, METHOD FOR PRODUCING SAME, AND COMPOSITION 第一工業製薬株式会社 2024-02-08 WO disclosed
EP-4219500-A1 CONDENSED HETEROCYCLIC COMPOUND Nissan Chemical Corporation (JP) 2023-08-02 EP disclosed
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
EP-3109239-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-12-28 EP disclosed
CN-105980363-A Aminopyrazolone Derivatives 第三共株式会社 2016-09-28 CN disclosed
US-8993708-B2 Carbazole polymer NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-03-31 US disclosed
US-20140371421-A1 CARBAZOLE POLYMER NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2014-12-18 US disclosed
US-8609679-B2 2,4-diaminopyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2013-12-17 US disclosed
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-06-27 US disclosed
US-4405627-A ANTISPASMODIC AGENTS; MUSCLE RELAXANTS; LOCAL ANESTHETICS ITALIANA SCHOUM S.P.A. (IT) 1983-09-20 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 (3 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-20240092784-A1 CONDENSED HETEROCYCLIC COMPOUND SPR, QDPR, SUCNR1 ALDH1A1 1229/4885LMNA 2911/4885HSD17B10 94/4885
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885LMNA 2409/4885HSD17B10 223/4885
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE ATAD5, ATP1A1, TIPRL ALDH1A1 2821/4885LMNA 4165/4885HSD17B10 3342/4885

“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.