Ethyl Acetate

Ethyl Acetate

SCHEMBL718108

CCCCCCCc1ccc(C)cc1.CCOC(C)=O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.53
THRA P10827 7/20 0.53
ALDH1A1 P00352 3/20 0.51
ESR1 P03372 2/20 0.51
ADRA2A P08913 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
TACR2 P21452 2/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
SHBG P04278 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
HSPD1 P10809 1/20 0.51
ADRB3 P13945 1/20 0.51
HTR2C P28335 1/20 0.51
HSPE1 P61604 1/20 0.51
HIF1A Q16665 1/20 0.51

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 SCHEMBL1465262 1.00 THRB (0.53) THRBTHRAALDH1A1ESR1ADRA2A
Ethyl Acetate SCHEMBL4477186 0.87 PPARG (0.53) THRBTHRAALDH1A1RARBMEN1
Ethyl Acetate SCHEMBL11321872 0.86 PPARG (0.52) THRBTHRAALDH1A1RARBMEN1
Acetic Acid Butyl Ester SCHEMBL6704840 0.84 ALDH1A1 (0.50) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL4252573 0.83 THRA (0.55) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL13783933 0.83 ALDH1A1 (0.59) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL19291196 0.83 THRA (0.55) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL3675245 0.83 CTDSP1 (0.49) THRBTHRAALDH1A1KDM4ELMNA
SCHEMBL80498 0.82 ESR1 (0.65) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL168031 0.82 ESR1 (0.65) ALDH1A1ESR1ADRA2AADORA3TACR2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368424-B Polymerizable compounds and their use in liquid crystal displays 默克专利股份有限公司 2022-06-03 CN disclosed
EP-3387089-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2019-10-02 EP disclosed
US-20180371321-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2018-12-27 US disclosed
EP-3387089-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2018-10-17 EP disclosed
WO-2017097401-A9 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2018-09-07 WO disclosed
CN-108368424-A Polymerizable compounds and their use in liquid crystal displays 默克专利股份有限公司 2018-08-03 CN disclosed
WO-2017097401-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2017-06-15 WO disclosed
US-8986856-B2 Iridium complex and organic light-emitting element including the same CANON KABUSHIKI KAISHA (JP) 2015-03-24 US disclosed
US-8980444-B2 Iridium complex and organic light-emitting device including the same CANON KABUSHIKI KAISHA (JP) 2015-03-17 US disclosed
CN-104245670-A Benzofluorene compound, material for light-emitting layer which is produced using said compound, and organic electroluminescent element JNC CORP 2014-12-24 CN disclosed
US-20120235134-A1 NOVEL IRIDIUM COMPLEX AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-09-20 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
CN-101160306-B Benzimidazole compounds EISAI R&D MAN CO LTD 2011-11-02 CN disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
CN-101160306-A Benzimidazole compounds EISAI R&D MAN CO LTD (JP) 2008-04-09 CN disclosed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 EP disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 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 (4 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-20120235134-A1 NOVEL IRIDIUM COMPLEX AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME OCIAD1, ORC3, PPOX THRB 2955/4885THRA 3002/4885ALDH1A1 902/4885
US-20070010542-A1 Benzimidazole compound HRH2, GIPR, HRH4 THRB 3064/4885THRA 2223/4885ALDH1A1 1028/4885
US-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 THRB 2987/4885THRA 2117/4885ALDH1A1 1053/4885
US-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 THRB 3064/4885THRA 2223/4885ALDH1A1 1028/4885

“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.