Ethyl Acetate

Ethyl Acetate

SCHEMBL3471340

CCOC(C)=O.O=C(O)CC(Cl)(Cl)Cl

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
LMNA P02545 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TSHR P16473 2/20 0.39
EGLN1 Q9GZT9 1/20 0.38
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
HMGCR P04035 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
SOAT1 P35610 1/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PKM P14618 2/20 0.32

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 SCHEMBL9303108 0.85 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL7646921 0.82 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10TSHREGLN1
Ethyl Acetate SCHEMBL6407899 0.82 ALDH1A1 (0.70) ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL7898961 0.82 ALDH1A1 (0.70) ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL759825 0.82 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL8600617 0.82 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRALOX15
Ethyl Acetate SCHEMBL4591730 0.82
T-Butylacetic Acid SCHEMBL30893650 0.81 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHREGLN1
Trichloroacetic Acid SCHEMBL10369550 0.80 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10TSHRALOX15
Ether SCHEMBL9798441 0.80 HMGCR (0.39) ALDH1A1TSHREGLN1HMGCRCHRM1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9375497-B2 [F-18]-labeled L-glutamic acid, [F-18]-labeled L-glutamine, derivatives thereof and use thereof and processes for their preparation PIRAMAL IMAGING SA (CH) 2016-06-28 US disclosed
CN-101595083-B [F-18]-labeled l-glutamic acid, [F-18]-labeled l-glutamine, derivatives thereof and use thereof and processes for their preparation BAYER SCHERING PHARMA AG 2014-12-10 CN disclosed
US-20140301948-A1 [F-18]-LABELED L-GLUTAMIC ACID, [F-18]-LABELED L-GLUTAMINE, DERIVATIVES THEREOF AND USE THEREOF AND PROCESSES FOR THEIR PREPARATION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2014-10-09 US disclosed
US-20100217011-A1 [F-18]-LABELED L-GLUTAMIC ACID, [F-18]-LABELED L-GLUTAMINE, DERIVATIVES THEREOF AND USE THEREOF AND PROCESSES FOR THEIR PREPARATION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-26 US disclosed
EP-0291234-B1 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC (US) 1994-03-23 EP disclosed
US-5164371-A HETEROCYCLIC KETONES ICI AMERICAS INC. (US) 1992-11-17 US disclosed
US-4873261-A SESQUITERPENE COMPOUND OR SALT THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-10-10 US disclosed
EP-0291234-A2 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC. (US) 1988-11-17 EP disclosed
EP-0278497-A2 Pharmaceutical composition for treating ulcerative large intestinal diseases OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-08-17 EP disclosed
US-4552765-A LIVER DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-11-12 US disclosed
EP-0048763-A1 SULFUR-CONTAINING ACYLAMINO ACIDS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-04-07 EP disclosed
US-4314055-A X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1982-02-02 US disclosed
EP-0031104-A1 Thiazolidine compounds, processes for their preparation and pharmaceutical compositions containing them SANTEN PHARMACEUTICAL CO., LTD. (JP) 1981-07-01 EP disclosed
US-4264620-A HYPOTENSIVE AGENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
US-4256729-A X-RAYS CONTRAST AGENTS MALLINCKRODT, INC. (US) 1981-03-17 US disclosed
US-4234578-A ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1980-11-18 US disclosed
US-4230845-A X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1980-10-28 US disclosed
US-4224440-A NON-IONIC X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1980-09-23 US disclosed
US-4125709-A X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1978-11-14 US disclosed
US-4109081-A X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1978-08-22 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-20100217011-A1 [F-18]-LABELED L-GLUTAMIC ACID, [F-18]-LABELED L-GLUTAMINE, DERIVATIVES THEREOF AND USE THEREOF AND PROCESSES FOR THEIR PREPARATION GLUL, GFPT1, QPCT ALDH1A1 870/4885LMNA 3064/4885HSD17B10 2228/4885
US-20140301948-A1 [F-18]-LABELED L-GLUTAMIC ACID, [F-18]-LABELED L-GLUTAMINE, DERIVATIVES THEREOF AND USE THEREOF AND PROCESSES FOR THEIR PREPARATION GLUL, GFPT1, QPCT ALDH1A1 870/4885LMNA 3064/4885HSD17B10 2228/4885

“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.