Ethyl Acetate

Ethyl Acetate

SCHEMBL2500756

CCOC(=O)CCO.CCOC(C)=O.ClCCl

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
LMNA P02545 2/20 0.56
HSD17B10 Q99714 2/20 0.56
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
CYP1A2 P05177 1/20 0.44
TRPA1 O75762 1/20 0.40
TSHR P16473 3/20 0.38
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS2 P35354 1/20 0.36
PDE4D Q08499 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.35
KMT2A Q03164 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
Ethyl Acetate SCHEMBL37398 0.94 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10GAAMGAM
Ethyl Acetate SCHEMBL1260460 0.94 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10GAAMGAM
Ethyl Acetate SCHEMBL16144857 0.94 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10GAAMGAM
Ethyl Acetate SCHEMBL2857167 0.94 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10GAAMGAM
Ethyl Acetate SCHEMBL14630991 0.94 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10GAAMGAM
Ethyl Acetate SCHEMBL1259419 0.94 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10GAAMGAM
Ethyl Acetate SCHEMBL15417972 0.94 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10GAAMGAM
Ethyl Acetate SCHEMBL15418012 0.94 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10GAAMGAM
Ethyl Acetate SCHEMBL1259377 0.94 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10GAAMGAM
Ethyl Acetate SCHEMBL3312144 0.94 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10GAAMGAM

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-20180325878-A1 N-BIARYLAMIDES BAYER IP GMBH (DE) 2018-11-15 US disclosed
US-9867812-B2 N-biarylamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-01-16 US disclosed
US-20160310474-A1 N-BIARYLAMIDES BAYER HEALTHCARE AG (DE) 2016-10-27 US disclosed
US-9227964-B2 N-biarylamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
US-20140288118-A1 N-BIARYLAMIDES BAYER INTELLECTUAL PROPERTY GMBH 2014-09-25 US disclosed
US-20120157490-A1 N-BIARYLAMIDES BAYER HEALTHCARE AG (DE) 2012-06-21 US disclosed
US-8030329-B2 N-biarylamides BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-04 US disclosed
US-20080214602-A1 (3R)-N-(4'-Aminobiphenyl-4-yl)quinuclidine--3-carboxamide dihydrochloride; nicotinic acetylcholine receptors of alpha7 subtype agonist; high permeability for calcium ions, increases glutamatergic neurotransmission, modulates neuronal plasticity; cognition activator, learning and perception enhancement BAYER HEALTHCARE AG (DE) 2008-09-04 US disclosed
US-7354930-B2 N-biarylamides BAYER HEALTHCARE AG (DE) 2008-04-08 US disclosed
US-20070112023-A1 (3R)-N-(4'-Aminobiphenyl-4-yl)quinuclidine-3-carboxamide dihydrochloride; nicotinic acetylcholine receptors of alpha7 subtype agonist; high permeability for calcium ions, increases glutamatergic neurotransmission, modulates neuronal plasticity; cognition activator, leaning and perception inhancement BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-05-17 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 (6 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-20180325878-A1 N-BIARYLAMIDES BCHE, BACE2, ACHE ALDH1A1 2433/4885LMNA 1203/4885HSD17B10 1023/4885
US-20070112023-A1 (3R)-N-(4'-Aminobiphenyl-4-yl)quinuclidine-3-carboxamide dihydrochloride; nicotinic acetylcholine receptors of alpha7 subtype agonist; high permeability for calcium ions, increases glutamatergic neurotransmission, modulates neuronal plasticity; cognition activator, leaning and perception inhancement CHRNA7, CHRNA3, CHRNA5 ALDH1A1 3160/4885LMNA 1038/4885HSD17B10 3247/4885
US-20140288118-A1 N-BIARYLAMIDES BCHE, BACE2, ACHE ALDH1A1 2433/4885LMNA 1203/4885HSD17B10 1023/4885
US-20120157490-A1 N-BIARYLAMIDES GRIN2A, BCHE, ACHE ALDH1A1 2040/4885LMNA 1312/4885HSD17B10 2479/4885
US-20160310474-A1 N-BIARYLAMIDES BCHE, BACE2, ACHE ALDH1A1 2433/4885LMNA 1203/4885HSD17B10 1023/4885
US-20080214602-A1 (3R)-N-(4'-Aminobiphenyl-4-yl)quinuclidine--3-carboxamide dihydrochloride; nicotinic acetylcholine receptors of alpha7 subtype agonist; high permeability for calcium ions, increases glutamatergic neurotransmission, modulates neuronal plasticity; cognition activator, learning and perception enhancement CHRNA7, CHRNA3, CHRNA2 ALDH1A1 3402/4885LMNA 2324/4885HSD17B10 4074/4885

“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.