Ethyl Acetate

Ethyl Acetate

SCHEMBL4030736

CCOC(C)=O.Oc1cccs1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.42
BRD4 O60885 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
KEAP1 Q14145 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 3/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.40

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 SCHEMBL28207223 0.84 ALDH1A1 (0.52) ALDH1A1HSD17B10LMNASMN1; SMN2MAPT
SCHEMBL11459101 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10LMNASMN1; SMN2MAPT
Ethyl Acetate SCHEMBL27923714 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10LMNASMN1; SMN2MAPT
Ethyl Acetate SCHEMBL27923708 0.81 HSD17B10 (0.51) ALDH1A1HSD17B10LMNASMN1; SMN2MAPT
Thiophene Carboxylic Acid SCHEMBL27556383 0.79 DAO (0.63) ALDH1A1HSD17B10LMNASMN1; SMN2MAPT
Ethyl Acetate SCHEMBL27923721 0.79 HSD17B10 (0.50) ALDH1A1HSD17B10LMNASMN1; SMN2MAPT
Ethyl Acetate SCHEMBL28207231 0.79 ALDH1A1 (0.47) ALDH1A1HSD17B10LMNASMN1; SMN2MAPT
Ethyl Acetate SCHEMBL27942738 0.79 ALDH1A1 (0.47) ALDH1A1HSD17B10LMNASMN1; SMN2MAPT
Acetic Acid SCHEMBL4033823 0.78 DAO (0.48) ALDH1A1HSD17B10LMNASMN1; SMN2MAPT
Ethyl Acetate SCHEMBL27942737 0.78 HSD17B10 (0.49) ALDH1A1HSD17B10LMNASMN1; SMN2MAPT

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
EP-1379240-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-04-08 EP disclosed
US-20060247280-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2006-11-02 US disclosed
EP-1379240-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-01-14 EP disclosed
WO-2002078696-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO 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-20060247280-A1 Compounds and methods METAP2, DNPEP, METAP1 ALDH1A1 1820/4885HSD17B10 2315/4885LMNA 4627/4885

“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.