Ethyl Acetate

Ethyl Acetate

SCHEMBL169844

CCCCCCC(Cl)(Cl)CO.CCOC(C)=O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
HTT P42858 1/20 0.39
FAAH O00519 1/20 0.39
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
SMPD1 P17405 2/20 0.36
CES2 O00748 1/20 0.36
FDPS P14324 1/20 0.36
TSHR P16473 2/20 0.35

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 SCHEMBL4621152 0.84 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10MEN1MAPT
Ethyl Acetate SCHEMBL2271896 0.84 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10MEN1MAPT
Ethyl Acetate SCHEMBL1082943 0.82 ALDH1A1 (0.45) ALDH1A1LMNAHSD17B10MEN1MAPT
Hexane SCHEMBL28378766 0.82 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10MEN1MAPT
SCHEMBL5862701 0.82 TSHR (0.43) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL398718 0.82 TSHR (0.43) ALDH1A1LMNAHSD17B10MEN1KMT2A
Hexane SCHEMBL27765450 0.80 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10MEN1MAPT
Heptane SCHEMBL1533564 0.80 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10MEN1MAPT
Heptane SCHEMBL15345911 0.80 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10MEN1MAPT
Heptane SCHEMBL18725336 0.80 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10MEN1MAPT

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-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2017-11-23 US disclosed
US-9757368-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2017-09-12 US disclosed
US-20130281398-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-03-08 US disclosed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 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 (4 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-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 ALDH1A1 1042/4885LMNA 3416/4885HSD17B10 4159/4885
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds ADORA2B, CCNB1, TYMS ALDH1A1 2375/4885LMNA 3222/4885HSD17B10 3935/4885
US-20130281398-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 ALDH1A1 3920/4885LMNA 1601/4885HSD17B10 2976/4885
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 ALDH1A1 1042/4885LMNA 3416/4885HSD17B10 4159/4885

“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.