Ethyl Acetate

Ethyl Acetate

SCHEMBL2295897

CCOC(C)=O.OCCCCO

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.74
LMNA P02545 3/20 0.74
HSD17B10 Q99714 2/20 0.74
CYP4F2 P78329 3/20 0.50
CYP4A11 Q02928 3/20 0.50
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPA1 O75762 1/20 0.39
ACHE P22303 4/20 0.38

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
1,5-Pentanediol SCHEMBL10978366 0.97 ALDH1A1 (0.70) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
1,6-Hexanediol SCHEMBL8340464 0.97 ALDH1A1 (0.70) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
Ethyl Acetate SCHEMBL1954428 0.95 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
1-Pentanol SCHEMBL3390919 0.93 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
Ethyl Acetate SCHEMBL4336716 0.93 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
Nonanol SCHEMBL10363769 0.91 LMNA (0.61) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
Octanol SCHEMBL492895 0.91 LMNA (0.61) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
1-Heptanol SCHEMBL2461694 0.91 LMNA (0.61) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
1-Hexanol SCHEMBL537293 0.91 LMNA (0.61) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11
Cetyl Alcohol SCHEMBL7713541 0.91 LMNA (0.61) ALDH1A1LMNAHSD17B10CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-26 US disclosed
CN-105232565-A Application of triterpene glucoside or pharmaceutically acceptable salts thereof in preparation of tumor radiosensitizer UNIV BEIJING AGRICULT 2016-01-13 CN disclosed
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 US disclosed
EP-1535976-B1 Composition for film formation, method for preparing the composition, and method for forming insulating film JSR CORP (JP) 2008-01-16 EP disclosed
EP-1535976-A1 Composition for film formation, method for preparing the composition, and method for forming insulating film JSR Corporation (JP) 2005-06-01 EP disclosed
US-20050112386-A1 Composition for film formation, method for preparing the composition, and method for forming insulating film JSR CORPORATION (JP) 2005-05-26 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 (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-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ADSL, SLC35B2, ADORA1 ALDH1A1 136/4885LMNA 3181/4885HSD17B10 3491/4885
US-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 ALDH1A1 1972/4885LMNA 2265/4885HSD17B10 2215/4885

“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.