Ethyl Acetate

Ethyl Acetate

SCHEMBL701114

CCOC(C)=O.O=C(O)CBr

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
LMNA P02545 1/20 0.70
HSD17B10 Q99714 1/20 0.70
TRPA1 O75762 2/20 0.54
TSHR P16473 2/20 0.50
ALOX15 P16050 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SOAT1 P35610 1/20 0.40
CYP2D6 P10635 2/20 0.39
EGLN1 Q9GZT9 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
MAPT P10636 1/20 0.38
GLO1 Q04760 1/20 0.37
FFAR3 O14843 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 SCHEMBL28214003 0.87
Ethyl Acetate SCHEMBL18921563 0.87
Ethyl Acetate SCHEMBL29134656 0.84 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TRPA1TSHR
Ethyl Acetate SCHEMBL11045341 0.84 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TRPA1TSHR
Ethyl Acetate SCHEMBL11286195 0.84 ALDH1A1 (0.88) ALDH1A1LMNAHSD17B10TRPA1TSHR
Ethyl Acetate SCHEMBL1526797 0.84 ALDH1A1 (0.88) ALDH1A1LMNAHSD17B10TRPA1TSHR
Ethyl Acetate SCHEMBL10598534 0.84 ALDH1A1 (0.88) ALDH1A1LMNAHSD17B10TRPA1TSHR
Ethyl Acetate SCHEMBL282517 0.84 ALDH1A1 (0.88) ALDH1A1LMNAHSD17B10TRPA1TSHR
Ethyl Acetate SCHEMBL3525677 0.84 ALDH1A1 (0.88) ALDH1A1LMNAHSD17B10TRPA1TSHR
Ethyl Acetate SCHEMBL15065336 0.84 ALDH1A1 (0.88) ALDH1A1LMNAHSD17B10TRPA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113511972-B (E) Process for preparing (E) -4-aryl-2, 2-difluoro-3-butenoic acid derivatives 昆明理工大学 2025-01-21 CN disclosed
CN-115427080-A Targeted protease degradation (TED) platform 嘉兴优博生物技术有限公司 2022-12-02 CN disclosed
US-8124587-B2 2-(aminomethyl)-5-chlorobenzylamide derivatives and their use as inhibitors of the clotting factor Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-02-28 US disclosed
US-20090117185-A1 2-(Aminomethyl)-5-Chlorobenzylamide Derivatives and their use as Inhibitors of the Clotting Factor Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2009-05-07 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-20090117185-A1 2-(Aminomethyl)-5-Chlorobenzylamide Derivatives and their use as Inhibitors of the Clotting Factor Xa F2, F11, TFPI ALDH1A1 2053/4885LMNA 442/4885HSD17B10 1962/4885

“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.