Ethyl Acetate

Ethyl Acetate

SCHEMBL3897689

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

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
LMNA P02545 1/20 0.64
HSD17B10 Q99714 1/20 0.64
TRPA1 O75762 2/20 0.62
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
TSHR P16473 2/20 0.41
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALOX15 P16050 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
GLO1 Q04760 1/20 0.34
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 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
Ethyl Acetate SCHEMBL3897691 0.93 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TRPA1MGAM
Ethyl Bromo Acetate SCHEMBL27578368 0.88 ALDH1A1 (0.81) ALDH1A1LMNAHSD17B10TRPA1MGAM
Ethyl Acetate SCHEMBL28214003 0.83
Ethyl Acetate SCHEMBL28325830 0.83
Ethyl Acetate SCHEMBL701114 0.81 ALDH1A1 (0.70) ALDH1A1LMNAHSD17B10TRPA1MGAM
Ethyl Acetate SCHEMBL29134656 0.80 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TRPA1MGAM
Ethyl Acetate SCHEMBL28816628 0.80
Ethyl Acetate SCHEMBL1331990 0.80
Ethyl Acetate SCHEMBL1331901 0.80
Ethyl Acetate SCHEMBL30152067 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572781-B2 Prodrugs for use as ophthalmic agents UNIVERSITY OF FLORIDA (US) 2009-08-11 US disclosed
US-7534779-B2 a steroidal quinol that is converted to a biologically active estrogen compound via enzyme catalyzed reduction; 2-(1-adamantyl)-estra-1,3,5(10)-triene-3,17 beta -diol; estrogen receptors activator; low lipid solubility; cataract, glaucoma, conjunctivitis, diabetic retinopathy UNIVERSITY OF FLORIDA (US) 2009-05-19 US disclosed
US-20080119446-A1 Prodrugs for Use as Ophthalmic Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-22 US disclosed
US-20070213310-A1 Prodrugs for Use as Ophthalmic Agents PROKAI LASZLO 2007-09-13 US disclosed
US-20070155711-A1 Prodrugs for use as ophthalmic agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2007-07-05 US disclosed
US-7186707-B2 Prodrugs for use as ophthalmic agents UNIVERSITY OF FLORIDA (US) 2007-03-06 US disclosed
EP-1569648-A4 PRODRUGS FOR USE A OPHTHALMIC AGENTS UNIV FLORIDA (US) 2006-10-04 EP disclosed
EP-1569648-A1 PRODRUGS FOR USE A OPHTHALMIC AGENTS University of Florida (US) 2005-09-07 EP disclosed
US-20040171596-A1 Prodrugs for use as ophthalmic agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2004-09-02 US disclosed
WO-2004069248-A1 PRODRUGS FOR USE A OPHTHALMIC AGENTS UNIVERSITY OF FLORIDA (US) 2004-08-19 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 (4 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-20040171596-A1 Prodrugs for use as ophthalmic agents CYP21A2, CYP19A1, CYP17A1 ALDH1A1 1249/4885LMNA 2259/4885HSD17B10 177/4885
US-20070155711-A1 Prodrugs for use as ophthalmic agents CYP19A1, CYP21A2, CYP17A1 ALDH1A1 1540/4885LMNA 2282/4885HSD17B10 255/4885
US-20080119446-A1 Prodrugs for Use as Ophthalmic Agents CYP21A2, CYP19A1, CYP17A1 ALDH1A1 1317/4885LMNA 2231/4885HSD17B10 175/4885
US-20070213310-A1 Prodrugs for Use as Ophthalmic Agents CYP21A2, CYP19A1, CYP17A1 ALDH1A1 1249/4885LMNA 2259/4885HSD17B10 177/4885

“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.