Ethyl Acetate

Ethyl Acetate

SCHEMBL16774556

CCOC(C)=O.COc1ccc(C=CC(=O)Cl)cc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ GSK3B P49841 2/20 0.56
▸ F3 P13726 2/20 0.55
▸ THRB P10828 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ MAOB P27338 4/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HDAC3 O15379 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ MAOA P21397 2/20 0.50
▸ TAS1R3 Q7RTX0 1/20 0.50
▸ TAS1R1 Q7RTX1 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49

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
4-Methoxycinnamic Acid SCHEMBL28937393 0.87 THRB (0.73) L3MBTL1GSK3BF3THRBATM
SCHEMBL145711 0.86 F3 (0.72) GSK3BF3THRBATMMAOB
SCHEMBL145712 0.86 F3 (0.72) GSK3BF3THRBATMMAOB
Anisaldehyde SCHEMBL9718106 0.80 ALDH1A1 (0.63) L3MBTL1GSK3BF3THRBATM
4-Methoxy Ethyl Cinnamate SCHEMBL15190 0.80 CA12 (0.71) L3MBTL1GSK3BF3THRBATM
4-Methoxy Ethyl Cinnamate SCHEMBL434842 0.80 CA12 (0.71) L3MBTL1GSK3BF3THRBATM
4-Methoxy Ethyl Cinnamate SCHEMBL1056347 0.80 CA12 (0.71) L3MBTL1GSK3BF3THRBATM
4-Methoxy Ethyl Cinnamate SCHEMBL28937392 0.79 CA12 (0.65) L3MBTL1GSK3BF3THRBATM
SCHEMBL8152426 0.79 KMT2A (0.49) L3MBTL1GSK3BF3MAOBRAB9A
Toluene SCHEMBL16766953 0.79 RELA (0.61) GSK3BF3THRBATMMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2883868-B1 CRYSTAL CONTAINING UNSATURATED CARBOXYLIC ACID AMIDE COMPOUND AND METHOD FOR PRODUCING SAME DAICEL CORP (JP) 2019-10-09 — — EP disclosed
US-9206138-B2 Crystal containing unsaturated carboxylic acid amide compound and method for producing same DAICEL CORPORATION (JP) 2015-12-08 — — US disclosed
US-20150299135-A1 CRYSTAL CONTAINING UNSATURATED CARBOXYLIC ACID AMIDE COMPOUND AND METHOD FOR PRODUCING SAME DAICEL CORPORATION (JP) 2015-10-22 — — US disclosed
EP-2883868-A1 CRYSTAL CONTAINING UNSATURATED CARBOXYLIC ACID AMIDE COMPOUND AND METHOD FOR PRODUCING SAME Daicel Corporation (JP) 2015-06-17 — — EP 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 (1 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-20150299135-A1 CRYSTAL CONTAINING UNSATURATED CARBOXYLIC ACID AMIDE COMPOUND AND METHOD FOR PRODUCING SAME ACSL1, FFAR2, FADS2 L3MBTL1 4686/4885GSK3B 4563/4885F3 1859/4885

“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.

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