Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL986199

CCCCOC(C)=O.COC(C)=O

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.86
ATM Q13315 1/20 0.52
TSHR P16473 5/20 0.48
HPGD P15428 1/20 0.48
EPHX1 P07099 1/20 0.47
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
FAAH O00519 1/20 0.46
ACHE P22303 7/20 0.45
HCAR2 Q8TDS4 1/20 0.45
NAAA Q02083 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
Acetic Acid Butyl Ester SCHEMBL1898851 0.94 ALDH1A1 (0.75) ALDH1A1ATMTSHRHPGDEPHX1
Acetic Acid Butyl Ester SCHEMBL9788282 0.93 ALDH1A1 (0.90) ALDH1A1ATMTSHRHPGDEPHX1
Acetic Acid Butyl Ester SCHEMBL28960923 0.93 ALDH1A1 (1.00) ALDH1A1ATMTSHRHPGDEPHX1
Acetic Acid Butyl Ester SCHEMBL1350194 0.93
Acetic Acid Butyl Ester SCHEMBL14969 0.93
Acetic Acid Butyl Ester SCHEMBL28984633 0.93 ALDH1A1 (1.00) ALDH1A1ATMTSHRHPGDEPHX1
Acetic Acid Butyl Ester SCHEMBL8026335 0.93 ALDH1A1 (1.00) ALDH1A1ATMTSHRHPGDEPHX1
Acetic Acid Butyl Ester SCHEMBL28809980 0.91 ALDH1A1 (0.78) ALDH1A1ATMTSHRHPGDEPHX1
Acetic Acid Butyl Ester SCHEMBL25225804 0.90
Acetic Acid Butyl Ester SCHEMBL9247031 0.90

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-20020038046-A1 Method for the purification of N-[N-(3,3-Dimethylbutyl)-L-a-Aspartyl]-L-Phenylalanine 1-Methyl Ester NUTRASWEET PROPERTY HOLDINGS, INC. 2002-03-28 US claimed
WO-2001009168-A1 A METHOD FOR THE PURIFICATION OF N-[N-(3,3-DIMETHYLBUTYL)-L-α-ASPARTYL]-L-PHENYLALANINE 1-METHYL ESTER THE NUTRASWEET COMPANY (US) 2001-02-08 WO claimed
CN-113442250-A Method for partial delignification and filling of lignocellulosic material and composite structure obtainable by such a method 木帝股份公司 2021-09-28 CN disclosed
EP-2275499-A2 Polymer-based fire-retarding formulations E.M.A.T. Technologies Ltd. (IL) 2011-01-19 EP disclosed
US-20100267853-A1 POLYMER-BASED FIRE-RETARDING FORMULATIONS E.M.A.T. TECHNOLOGIES LTD. (IL) 2010-10-21 US disclosed
WO-2009057104-A2 POLYMER-BASED FIRE-RETARDING FORMULATIONS E.M.A.T. TECHNOLOGIES LTD. (IL) 2009-05-07 WO disclosed
US-5133805-A Plate-like hematite particles, a pigment comprising the same and showing a golden color, and a process for producing the same TODA KOGYO CORP. (JP) 1992-07-28 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-20020038046-A1 Method for the purification of N-[N-(3,3-Dimethylbutyl)-L-a-Aspartyl]-L-Phenylalanine 1-Methyl Ester DNPEP, ANPEP, ASPH ALDH1A1 1977/4885ATM 3712/4885TSHR 4594/4885

“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.