Ethyl Acetate

Ethyl Acetate

SCHEMBL3254085

CCOC(=O)C#N.CCOC(C)=O.CCOC(C)=O

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
LMNA P02545 2/20 0.64
HSD17B10 Q99714 1/20 0.64
TSHR P16473 2/20 0.47
CYP2C9 P11712 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
HTT P42858 2/20 0.35
TRPA1 O75762 1/20 0.34
GLO1 Q04760 1/20 0.34

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
SCHEMBL43934 0.91
Ethyl Acetate SCHEMBL27512242 0.85 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRCYP2C9
Ethyl Acetate SCHEMBL29569304 0.84 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10TSHRCYP2C9
Ethyl Acetate SCHEMBL2336202 0.83 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRCYP2C9
Ethyl Acetate SCHEMBL5862364 0.83 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRCYP2C9
Ethyl Acetate SCHEMBL390477 0.83
Ethyl Acetate SCHEMBL2764170 0.83 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRCYP2C9
Ethyl Acetate SCHEMBL525361 0.83 ALDH1A1 (0.93) ALDH1A1LMNAHSD17B10TSHRMAPT
Ethyl Acetate SCHEMBL18237169 0.83 ALDH1A1 (0.93) ALDH1A1LMNAHSD17B10TSHRMAPT
Ethyl Acetate SCHEMBL508898 0.83 ALDH1A1 (0.93) ALDH1A1LMNAHSD17B10TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799932-B2 N-substituted 3,4-alkylenedioxypyrroles, ester substituted dihydroxypyrroles and methods for synthesis of these pyrroles UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-09-21 US disclosed
EP-1931630-B1 N-SUBSTITUTED 3,4-ALKYLENEDIOXYPYRROLES, ESTER SUBSTITUTED DIHYDROXYPYRROLES AND METHODS FOR SYNTHESIS OF THESE PYRROLES UNIV FLORIDA (US) 2010-05-12 EP disclosed
US-20090149661-A1 N-Substituted 3,4-Alkylenedioxypyrroles, Ester Substituted Dihydroxypyrroles and Methods for Synthesis of These Pyrroles UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-06-11 US disclosed
EP-1931630-A1 N-SUBSTITUTED 3,4-ALKYLENEDIOXYPYRROLES, ESTER SUBSTITUTED DIHYDROXYPYRROLES AND METHODS FOR SYNTHESIS OF THESE PYRROLES University of Florida Research Foundation, Incorporated (US) 2008-06-18 EP disclosed
WO-2007041724-A1 N-SUBSTITUTED 3,4-ALKYLENEDIOXYPYRROLES, ESTER SUBSTITUTED DIHYDROXYPYRROLES AND METHODS FOR SYNTHESIS OF THESE PYRROLES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2007-04-12 WO disclosed
US-20040007169-A1 Semiconductor nanoparticles and thin film containing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2004-01-15 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-20090149661-A1 N-Substituted 3,4-Alkylenedioxypyrroles, Ester Substituted Dihydroxypyrroles and Methods for Synthesis of These Pyrroles PAH, DDT, DHPS ALDH1A1 430/4885LMNA 3433/4885HSD17B10 270/4885

“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.