Ethyl Acetate

Ethyl Acetate

SCHEMBL6494884

CCCC(O)(CCc1ccccc1)CC(=O)O.CCOC(C)=O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SLC13A5 Q86YT5 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40
RECQL P46063 1/20 0.39
MAPT P10636 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL4071793 0.89 SLC13A5 (0.49) ALDH1A1SLC13A5SMN1; SMN2KDM4EMEN1
SCHEMBL4071789 0.89 SLC13A5 (0.49) ALDH1A1SLC13A5SMN1; SMN2KDM4EMEN1
SCHEMBL6696645 0.89 SLC13A5 (0.49) ALDH1A1SLC13A5SMN1; SMN2KDM4EMEN1
SCHEMBL4074798 0.85 PPID (0.46) SMN1; SMN2MAPTL3MBTL1PPID
SCHEMBL5808973 0.81 PPID (0.45) ALDH1A1SMN1; SMN2LMNARECQLMAPT
SCHEMBL5808979 0.81 PPID (0.45) ALDH1A1SMN1; SMN2LMNARECQLMAPT
SCHEMBL5795342 0.81 PPID (0.45) ALDH1A1SMN1; SMN2LMNARECQLMAPT
SCHEMBL4075370 0.78 MMP12 (0.42) ALDH1A1SLC13A5SMN1; SMN2KDM4EMEN1
SCHEMBL6560435 0.78 CA12 (0.43) ALDH1A1SLC13A5KDM4ELMNAHDAC3
SCHEMBL4075367 0.78 MMP12 (0.42) ALDH1A1SLC13A5SMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110957-A1 Process for the synthesis of an antiviral compound HONEYWELL INTERNATIONAL, INC. (US) 2004-06-10 US claimed
WO-2004052883-A3 PROCESS FOR THE SEPARATION OF ENANTIOMERS HONEYWELL INT INC (US) 2005-01-13 WO disclosed
WO-2004052883-A2 PROCESS FOR THE SEPARATION OF ENANTIOMERS HONEYWELL INTERNATIONAL INC. (US) 2004-06-24 WO disclosed
US-20040110957-A1 Process for the synthesis of an antiviral compound HONEYWELL INTERNATIONAL, INC. (US) 2004-06-10 US disclosed
US-20040110957-A1 Process for the synthesis of an antiviral compound HONEYWELL INTERNATIONAL, INC. (US) 2004-06-10 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 (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-20040110957-A1 Process for the synthesis of an antiviral compound EIF2AK2, IRF3, RTF1 ALDH1A1 2288/4885SLC13A5 4125/4885SMN1; SMN2 3936/4885

“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.