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Sugi Predict / Compounds / Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL248128

CC#N.CCCCOC(C)=O

nearest known ligand 0.78

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.78
▸ ATM Q13315 1/20 0.48
▸ TSHR P16473 7/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HCAR2 Q8TDS4 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NAAA Q02083 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CHRM5 P08912 2/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ PGR P06401 1/20 0.40

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 SCHEMBL29032647 1.00 ALDH1A1 (0.78) ALDH1A1ATMTSHRHPGDHCAR2
Acetic Acid Butyl Ester SCHEMBL27445615 0.96 ALDH1A1 (0.72) ALDH1A1ATMTSHRHPGDHCAR2
Acetic Acid Butyl Ester SCHEMBL3339778 0.91 — —
Acetic Acid Butyl Ester SCHEMBL28702797 0.89 ALDH1A1 (0.90) ALDH1A1ATMTSHRHPGDHCAR2
Acetic Acid Butyl Ester SCHEMBL27654777 0.89 ALDH1A1 (0.90) ALDH1A1ATMTSHRHPGDHCAR2
Acetic Acid Butyl Ester SCHEMBL28190244 0.89 ALDH1A1 (0.90) ALDH1A1ATMTSHRHPGDHCAR2
Acetic Acid Butyl Ester SCHEMBL28960923 0.89 ALDH1A1 (1.00) ALDH1A1ATMTSHRHPGDHCAR2
Acetic Acid Butyl Ester SCHEMBL14969 0.89 — —
Acetic Acid Butyl Ester SCHEMBL1350194 0.89 — —
Acetic Acid Butyl Ester SCHEMBL28984633 0.89 ALDH1A1 (1.00) ALDH1A1ATMTSHRHPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107814364-B Preparation method of bis (fluorosulfonyl) imide salt 上海如鲲新材料有限公司 2020-08-04 — — CN claimed
CN-107261859-B Preparation method of graphene oxide/polymer solvent-resistant composite nanofiltration membrane 浙江工业大学 2020-01-14 — — CN claimed
CN-107814364-A A kind of preparation method of double fluorine sulfimide salts 上海如鲲新材料有限公司 2018-03-20 — — CN claimed
CN-107261859-A Preparation method of graphene oxide/polymer solvent-resistant composite nanofiltration membrane 浙江工业大学 2017-10-20 — — CN claimed
CN-118812598-A Method for preparing ethoxy pentafluoroethyl cyclotriphosphazene 云南云天化股份有限公司 2024-10-22 — — CN disclosed
CN-107814364-B Preparation method of bis (fluorosulfonyl) imide salt 上海如鲲新材料有限公司 2020-08-04 — — CN disclosed
CN-107261859-B Preparation method of graphene oxide/polymer solvent-resistant composite nanofiltration membrane 浙江工业大学 2020-01-14 — — CN disclosed
CN-110325518-A Thiazolium compounds and herbicide 日本欧爱特农业科技株式会社 2019-10-11 — — CN disclosed
CN-110325592-A Aqueous resin composition, the laminated body for having used it, optical film and image display device DIC株式会社 2019-10-11 — — CN disclosed
CN-107210133-B Electrolytic capacitor and its manufacturing method 松下知识产权经营株式会社 2019-05-03 — — CN disclosed
CN-105960394-B The manufacturing method of dihydroindole compounds 宇部兴产株式会社 2019-03-15 — — CN disclosed
CN-105566219-B The manufacturing method and its manufacture intermediate of 3,4- dihydroisoquinoline derivatives 三井化学AGRO株式会社 2019-03-01 — — CN disclosed
US-20130150352-A1 CRYSTALLINE FORMS OF THE TRI-MESYLATE SALT OF PERPHENAZINE-GABA AND PROCESS OF PRODUCING THE SAME RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-06-13 — — US disclosed
US-8377929-B2 Crystalline forms of the tri-mesylate salt of perphenazine-GABA and process of producing the same RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-02-19 — — US disclosed
EP-2539857-A2 CRYSTALLINE FORMS OF THE TRI-MESYLATE SALT OF PERPHENAZINE-GABA AND PROCESS OF PRODUCING THE SAME Ramot at Tel Aviv University, Ltd. (IL) 2013-01-02 — — EP disclosed
WO-2011104637-A9 CRYSTALLINE FORMS OF THE TRI-MESYLATE SALT OF PERPHENAZINE-GABA AND PROCESS OF PRODUCING THE SAME RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2012-01-05 — — WO disclosed
EP-2387400-A1 NOVEL FORMS OF BENDAMUSTINE FREE BASE Cephalon, Inc. (US) 2011-11-23 — — EP disclosed
US-8037645-B2 Trellis and accent band DIVISION 8 PRODUCTS, INC. 2011-10-18 — — US disclosed
WO-2011104637-A2 CRYSTALLINE FORMS OF THE TRI-MESYLATE SALT OF PERPHENAZINE-GABA AND PROCESS OF PRODUCING THE SAME RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2011-09-01 — — WO disclosed
WO-2010083276-A1 NOVEL FORMS OF BENDAMUSTINE FREE BASE CEPHALON, INC. (US) 2010-07-22 — — WO 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-20130150352-A1 CRYSTALLINE FORMS OF THE TRI-MESYLATE SALT OF PERPHENAZINE-GABA AND PROCESS OF PRODUCING THE SAME DPP4, GABBR1, SLC6A1 ALDH1A1 366/4885ATM 2572/4885TSHR 2278/4885

“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.