Ethyl Acetate

Ethyl Acetate

SCHEMBL1970256

CCCCCCCC(Cl)(Cl)C(C)(C)OC(C)C.CCOC(C)=O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
FAAH O00519 3/20 0.35
HTT P42858 1/20 0.35
PRKCA P17252 3/20 0.34
THRB P10828 1/20 0.33
PKM P14618 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
SCHEMBL4495596 0.86 SMPD1 (0.32) MAPTLMNAALDH1A1THRB
SCHEMBL3299045 0.86 SMPD1 (0.32) MAPTLMNAALDH1A1THRB
Ethyl Acetate SCHEMBL3213147 0.84 MAPT (0.44) MAPTMEN1KMT2AATML3MBTL1
Ethyl Acetate SCHEMBL4621152 0.78 ALDH1A1 (0.52) MAPTMEN1KMT2AATML3MBTL1
Ethyl Acetate SCHEMBL2271896 0.78 ALDH1A1 (0.52) MAPTMEN1KMT2AATML3MBTL1
Hexane SCHEMBL27765450 0.78 ALDH1A1 (0.61) MAPTMEN1KMT2AATML3MBTL1
Hexane SCHEMBL28378766 0.76 ALDH1A1 (0.64) MAPTMEN1KMT2AATML3MBTL1
Ethyl Acetate SCHEMBL13737737 0.75 ALDH1A1 (0.52) MAPTMEN1KMT2AATML3MBTL1
Heptane SCHEMBL1238732 0.74 LMNA (0.61) MAPTMEN1KMT2AATML3MBTL1
Hexane SCHEMBL5790855 0.74 ALDH1A1 (0.61) MAPTMEN1KMT2AATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168667-B2 Imidazolidine derivatives, uses therefor, preparation thereof and compositions comprising such GALAPAGOS NV (BE) 2012-05-01 US disclosed
EP-2026799-B1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH GALAPAGOS SAS (FR) 2011-06-22 EP disclosed
US-20100210699-A1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH DART THERAPUTICS, LLC. 2010-08-19 US disclosed
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such SASU, GALAPAGOS (FR) 2010-03-11 US disclosed
EP-2026799-A2 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH Galapagos SAS (FR) 2009-02-25 EP disclosed
WO-2007137874-A2 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH GALAPAGOS SAS (FR) 2007-12-06 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 (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-20100210699-A1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH NR5A1, AR, HSD17B7 MAPT 4672/4885MEN1 1102/4885KMT2A 1222/4885
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such NR5A1, AR, HSD17B7 MAPT 4684/4885MEN1 1118/4885KMT2A 1223/4885

“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.