Ethyl Acetate

Ethyl Acetate

SCHEMBL9950728

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

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
LMNA P02545 1/20 0.74
HSD17B10 Q99714 1/20 0.74
TSHR P16473 1/20 0.46
GAA P10253 2/20 0.42
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
TRPA1 O75762 1/20 0.39
GLO1 Q04760 1/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
PGR P06401 1/20 0.36

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 SCHEMBL538959 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRGAA
Ethyl Acetate SCHEMBL11403445 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRGAA
Ethyl Acetate SCHEMBL11404929 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRGAA
Ethyl Acetate SCHEMBL9212641 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRGAA
Ethyl Acetate SCHEMBL11405602 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHRGAA
Ethyl Acetate SCHEMBL27617635 0.97 ALDH1A1 (0.70) ALDH1A1LMNAHSD17B10TSHRGAA
Ethyl Acetate SCHEMBL11346680 0.97 ALDH1A1 (0.70) ALDH1A1LMNAHSD17B10TSHRGAA
Ethyl Acetate SCHEMBL9304282 0.97 ALDH1A1 (0.70) ALDH1A1LMNAHSD17B10TSHRGAA
Ethyl Acetate SCHEMBL11181789 0.97 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRGAA
Ethyl Acetate SCHEMBL6268192 0.97 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10TSHRGAA

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
EP-2832728-B1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL IND LTD (JP) 2018-09-05 EP disclosed
US-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 US disclosed
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2015-03-05 US disclosed
EP-2832728-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2015-02-04 EP disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 US disclosed
US-4182757-A Novel nitrosourea compounds and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1980-01-08 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 (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-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G ALDH1A1 2675/4885LMNA 1722/4885HSD17B10 592/4885
US-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 ALDH1A1 2050/4885LMNA 2444/4885HSD17B10 1313/4885

“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.