Ethyl Acetate

Ethyl Acetate

SCHEMBL6439765

CCCC(C)C.CCCC(C)C.CCCC(C)C.CCCC(C)C.CCCC(C)C.CCCC(C)C.CCCC(C)C.CCCC(C)C.CCOC(C)=O.CCOC(C)=O

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
LMNA P02545 1/20 0.64
HSD17B10 Q99714 1/20 0.64
TSHR P16473 3/20 0.41
PTPN1 P18031 1/20 0.39
ALOX15 P16050 2/20 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
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36

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 SCHEMBL830570 1.00 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRPTPN1
Ethyl Acetate SCHEMBL6842378 1.00 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRPTPN1
Ethyl Acetate SCHEMBL8031050 1.00 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRPTPN1
Ethyl Acetate SCHEMBL3310000 1.00 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRPTPN1
Ethyl Acetate SCHEMBL3307229 1.00 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRPTPN1
Ethyl Acetate SCHEMBL15020058 1.00 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRPTPN1
Ethyl Acetate SCHEMBL6439648 1.00 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRPTPN1
Ethyl Acetate SCHEMBL832069 1.00 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRPTPN1
Ethyl Acetate SCHEMBL48804 1.00 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRPTPN1
Ethyl Acetate SCHEMBL7919087 1.00 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 US disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 US disclosed
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 US disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 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-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 ALDH1A1 170/4885LMNA 993/4885HSD17B10 1282/4885

“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.