Ethyl Acetate

Ethyl Acetate

SCHEMBL6324518

CCOC(C)=O.CCOC=O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
LMNA P02545 1/20 0.67
HSD17B10 Q99714 1/20 0.67
TSHR P16473 1/20 0.43
GLO1 Q04760 1/20 0.40
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
HCAR2 Q8TDS4 1/20 0.37
TRPA1 O75762 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33

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
Ethoxycarbonyl Group SCHEMBL9528444 0.85
Acetic Acid Propyl Ester SCHEMBL1533591 0.85 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10TSHRGLO1
Propylformate SCHEMBL11350218 0.85 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10TSHRGLO1
Ethoxycarbonyl Group SCHEMBL8821576 0.83 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10TSHRGLO1
Ethoxycarbonyl Group SCHEMBL4631753 0.82
Ethyl Acetate SCHEMBL7851447 0.82
Ethyl Acetate SCHEMBL2866434 0.82
Ethyl Acetate SCHEMBL9453477 0.82 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRGLO1
Ethyl Acetate SCHEMBL1331990 0.82
Ethyl Acetate SCHEMBL30152067 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924314-A Preparation method of Rayleigh Lu Geli intermediate 浙江东亚药业股份有限公司 2024-04-26 CN disclosed
CN-116369318-A Long-acting disinfection and sterilization solid material and preparation method thereof 上海心尔新材料科技股份有限公司 2023-07-04 CN disclosed
CN-113666977-A Production process for combined separation of multiple active ingredients of liquorice 甘肃亚兰药业有限公司 2021-11-19 CN disclosed
CN-108375635-B Method for detecting enramycin residue in animal tissue 中国农业大学 2020-07-14 CN disclosed
US-6838465-B2 N-acyltetrahydroisoquinoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-04 US disclosed
US-20040044031-A1 N-acyltetrahydroisoquinoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
EP-1288202-A1 N-ACYLTETRAHYDROISOQUINOLINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-03-05 EP disclosed
EP-0228061-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1987-07-08 EP 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-20040044031-A1 N-acyltetrahydroisoquinoline derivatives HCRTR2, HCRTR1, OPRL1 ALDH1A1 1857/4885LMNA 3743/4885HSD17B10 553/4885

“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.