Ethyl Acetate

Ethyl Acetate

SCHEMBL1777438

CCCCCCC(=O)OCC.CCOC(C)=O

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.64
PAM P19021 2/20 0.58
LMNA P02545 5/20 0.56
ALDH1A1 P00352 2/20 0.56
HSD17B10 Q99714 1/20 0.56
TSHR P16473 1/20 0.55
MAPT P10636 1/20 0.55
PRKCA P17252 3/20 0.54
CYP1A2 P05177 1/20 0.53
DNM1 Q05193 1/20 0.53
KDM4E B2RXH2 1/20 0.51
DUSP3 P51452 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PRKCE Q02156 1/20 0.49
PRKCQ Q04759 1/20 0.49
PRKCD Q05655 1/20 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 SCHEMBL1614072 1.00 DGKA (0.64) DGKAPAMLMNAALDH1A1HSD17B10
Ethyl Acetate SCHEMBL756143 1.00 DGKA (0.64) DGKAPAMLMNAALDH1A1HSD17B10
Hexane SCHEMBL19611429 1.00 DGKA (0.64) DGKAPAMLMNAALDH1A1HSD17B10
Ethyl Acetate SCHEMBL31373773 1.00 DGKA (0.64) DGKAPAMLMNAALDH1A1HSD17B10
Ethyl Acetate SCHEMBL11889416 0.98 DGKA (0.62) DGKAPAMLMNAALDH1A1HSD17B10
Ethyl Acetate SCHEMBL27394742 0.98 DGKA (0.61) DGKAPAMLMNAALDH1A1HSD17B10
Ethyl Acetate SCHEMBL3483756 0.93 DGKA (0.56) DGKAPAMLMNAALDH1A1HSD17B10
Ethyl Acetate SCHEMBL4168022 0.93 DGKA (0.56) DGKAPAMLMNAALDH1A1HSD17B10
Ethyl Acetate SCHEMBL3310609 0.93 DGKA (0.56) DGKAPAMLMNAALDH1A1HSD17B10
Acetone SCHEMBL1868300 0.92 DGKA (0.69) DGKAPAMLMNAALDH1A1TSHR

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-7943645-B2 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2011-05-17 US disclosed
US-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. 2009-03-26 US disclosed
US-7423052-B2 Piperidine compounds for use as orexin receptor antagoinst SMITHKLINE BEECHAM P.L.C. (GB) 2008-09-09 US disclosed
EP-1406897-B1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2007-03-14 EP disclosed
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2004-10-28 US disclosed
EP-0214743-B1 USE OF QUINOLINE DERIVATIVES IN THE MANUFACTURE OF MEDICAMENTS FOR THE TREATMENT OF CEREBROVASCULAR DISORDERS AND CEREBRAL SENILITY BEECHAM GROUP PLC (GB) 1993-05-12 EP disclosed
US-4808619-A HYPOTENSIVE AGENT, COGNITION ACTIVATOR BEECHAM GROUP P.L.C. (GB) 1989-02-28 US disclosed
EP-0214743-A2 Use of quinoline derivatives in the manufacture of medicaments for the treatment of cerebrovascular disorders and cerebral senility BEECHAM GROUP PLC (GB) 1987-03-18 EP 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 (2 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-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST HCRTR2, HCRTR1, OXTR DGKA 3071/4885PAM 393/4885LMNA 4134/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR DGKA 3608/4885PAM 385/4885LMNA 3677/4885

“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.