Ethyl Acetate

Ethyl Acetate

SCHEMBL6437598

CCOC(C)=O.O=C(O)[C@H](Br)Cc1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MMP8 P22894 1/20 0.49
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
HSD17B10 Q99714 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTPN7 P35236 1/20 0.43

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
SCHEMBL6439361 0.87 ALPI (0.54) ALDH1A1MMP8ALPIPKMPTGS1
SCHEMBL2340596 0.83 MMP8 (0.58) ALDH1A1MMP8PKMHSD17B10L3MBTL1
SCHEMBL490844 0.83 CYP1A2 (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4316458 0.83 CYP1A2 (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4826192 0.83 CYP1A2 (0.61) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL27813600 0.83 SLC7A5 (0.71) ALDH1A1MMP8ALPIPKMPTGS1
Ethyl Acetate SCHEMBL6054522 0.83 ALDH1A1 (0.51) ALDH1A1MMP8ALPIPKMPTGS1
Toluene SCHEMBL6466957 0.82 CYP1A2 (0.52) ALDH1A1ALPIPKMPTGS1XIAP
Toluene SCHEMBL6466953 0.82 CYP1A2 (0.52) ALDH1A1ALPIPKMPTGS1XIAP
Bromide SCHEMBL1596942 0.81 CYP1A2 (0.59) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245764-A1 Process for producing optically active 2-substituted carboxylic acid KANEKA CORPORATION (JP) 2005-11-03 US disclosed
EP-1422215-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-SUBSTITUTED CARBOXYLIC ACID KANEKA CORPORATION (JP) 2004-05-26 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-20050245764-A1 Process for producing optically active 2-substituted carboxylic acid CA2, UACA, ATIC ALDH1A1 981/4885MMP8 2912/4885ALPI 2102/4885

“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.