Ethyl Acetate

Ethyl Acetate

SCHEMBL2958120

CCOC(C)=O.C[C@H]1OC(O)C[C@H](O)[C@@H]1O.C[C@H]1OC(O)C[C@H](O)[C@@H]1O.C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@H]12

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 8/20 0.51
ATP1B1 P05026 8/20 0.51
ATP1A3 P13637 8/20 0.51
ATP1B2 P14415 8/20 0.51
ATP1A2 P50993 8/20 0.51
ATP1B3 P54709 8/20 0.51
FXYD2 P54710 8/20 0.51
ATP1A4 Q13733 8/20 0.51
TP53 P04637 9/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
LMNA P02545 6/20 0.49
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
STAT3 P40763 2/20 0.49
SLCO4C1 Q6ZQN7 2/20 0.49
USP2 O75604 1/20 0.49
ABCB11 O95342 1/20 0.49
MAPT P10636 1/20 0.49
PAX8 Q06710 4/20 0.49
HIF1A Q16665 3/20 0.49

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 SCHEMBL2960997 0.99 ATP1A1 (0.50) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL8830696 0.92 TP53 (0.56) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL8830484 0.92 TP53 (0.56) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11211273 0.83 ATP1A1 (0.53) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11207874 0.82 ATP1A1 (0.52) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7309200 0.82 TP53 (0.68) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL8999665 0.82 TP53 (0.68) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11654361 0.82 TP53 (0.68) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7279420 0.82 TP53 (0.68) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11806297 0.82 TP53 (0.68) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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
US-8507411-B2 Neoglycorandomization and digitoxin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-08-13 US disclosed
US-8344133-B2 Neoglycorandomization and digitoxin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-01 US disclosed
US-20100256078-A1 NEOGLYCORANDOMIZATION AND DIGITOXIN ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-10-07 US disclosed
US-7754874-B2 Have significantly enhanced cytotoxic potency toward human cancer cells and tumor-specificity, are less potent Na+/K+-ATPase inhibitors in a human cell line than digitoxin WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-07-13 US disclosed
US-20090075842-A1 NEOGLYCORANDOMIZATION AND DIGITOXIN ANALOGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-19 US disclosed
EP-1768992-A1 NEOGLYCORANDOMIZATION AND DIGITOXIN ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-04-04 EP disclosed
US-20060041109-A1 Neoglycorandomization and digitoxin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2006-02-23 US disclosed
WO-2006002381-A1 NEOGLYCORANDOMIZATION AND DIGITOXIN ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2006-01-05 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 (3 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-20060041109-A1 Neoglycorandomization and digitoxin analogs CANX, DERA, GALE ATP1A1 44/4885ATP1B1 24/4885ATP1A3 35/4885
US-20090075842-A1 NEOGLYCORANDOMIZATION AND DIGITOXIN ANALOGS CANX, DERA, GALE ATP1A1 44/4885ATP1B1 24/4885ATP1A3 35/4885
US-20100256078-A1 NEOGLYCORANDOMIZATION AND DIGITOXIN ANALOGS CANX, DERA, GALE ATP1A1 44/4885ATP1B1 24/4885ATP1A3 35/4885

“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.