Ethyl Acetate

Ethyl Acetate

SCHEMBL1893047

CCN(CC)CC.CCOC(C)=O.CO.ClCCl

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
LMNA P02545 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TSHR P16473 1/20 0.40
TRPA1 O75762 1/20 0.38
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GLO1 Q04760 1/20 0.33
POLB P06746 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 SCHEMBL1231 0.98 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRTRPA1
Ethyl Acetate SCHEMBL3507062 0.93 ALDH1A1 (0.70) ALDH1A1LMNAHSD17B10TSHRTRPA1
Ethyl Acetate SCHEMBL882 0.93 ALDH1A1 (0.70) ALDH1A1LMNAHSD17B10TSHRTRPA1
Ethyl Acetate SCHEMBL11069490 0.91 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10TSHRTRPA1
Ethyl Acetate SCHEMBL276158 0.91 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRTRPA1
Ethyl Acetate SCHEMBL5861342 0.91 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRTRPA1
Ethyl Acetate SCHEMBL6046507 0.91 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRTRPA1
Ethyl Acetate SCHEMBL6347449 0.91 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRTRPA1
Ethyl Acetate SCHEMBL6338631 0.89 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10TSHRTRPA1
Ethyl Acetate SCHEMBL11579143 0.89 ALDH1A1 (0.70) ALDH1A1LMNAHSD17B10TSHRTRPA1

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2896612-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings LLC (US) 2015-07-22 EP disclosed
EP-2253620-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH HOLDINGS LLC (US) 2014-03-12 EP disclosed
CN-1738817-B Novel antagonist derivatives of vitronectin receptors, process for their preparation, their use as medicaments and pharmaceutical compositions containing them Galapagos S.A.S. (FR) 2011-12-21 CN disclosed
US-RE42376-E1 Substituted 3-cyanoquinolines WYETH HOLDINGS CORPORATION (US) 2011-05-17 US disclosed
CN-101928287-A Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS 2010-12-29 CN disclosed
EP-2253620-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2010-11-24 EP disclosed
US-7763621-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2010-07-27 US disclosed
US-7582640-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2009-09-01 US disclosed
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS 2009-06-11 US disclosed
EP-1950201-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2008-07-30 EP disclosed
US-20010051340-A1 Kits employing generalized target-binding e-tag probes MONOGRAM BIOSCIENCES, INC. 2001-12-13 US disclosed
US-20010049105-A1 Methods employing generalized target-binding e-tag probes MONOGRAM BIOSCIENCES, INC. 2001-12-06 US disclosed
CN-1320118-A Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors AMERICAN CYANAMID CO (US) 2001-10-31 CN disclosed
US-6297258-B1 USEFUL AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE. AMERICAN CYANAMID COMPANY 2001-10-02 US disclosed
WO-2001068186-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2001-09-20 WO disclosed
EP-1117649-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP disclosed
WO-2000018740-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO disclosed
EP-0973746-A1 SUBSTITUTED 3-CYANO QUINOLINES American Cyanamid Company (US) 2000-01-26 EP disclosed
US-6002008-A Substituted 3-cyano quinolines AMERICAN CYANAMID COMPANY 1999-12-14 US disclosed
WO-1998043960-A1 SUBSTITUTED 3-CYANO QUINOLINES AMERICAN CYANAMID COMPANY (US) 1998-10-08 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-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same ADGRF1, C5AR2, ADGRE5 ALDH1A1 3380/4885LMNA 376/4885HSD17B10 4584/4885

“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.