Acetic Acid Propyl Ester

Acetic Acid Propyl Ester

SCHEMBL3095757

CC(C)O.CCCOC(C)=O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TSHR P16473 3/20 0.50
HSD17B10 Q99714 2/20 0.48
LMNA P02545 2/20 0.48
CHRM1 P11229 3/20 0.44
CHRM5 P08912 2/20 0.44
CHRM3 P20309 2/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRNB2 P17787 1/20 0.44
TBXA2R P21731 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNA10 Q9GZZ6 1/20 0.44
CHRNA9 Q9UGM1 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 Propyl Ester SCHEMBL20896852 0.93 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10LMNACHRM1
Acetic Acid Propyl Ester SCHEMBL28451713 0.89 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10LMNACHRM1
Acetic Acid Propyl Ester SCHEMBL23495512 0.89 ALDH1A1 (0.70) ALDH1A1TSHRHSD17B10LMNACHRM1
Acetic Acid Propyl Ester SCHEMBL14991 0.89
Acetic Acid Propyl Ester SCHEMBL1445156 0.89 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10LMNACHRM1
Acetic Acid Propyl Ester SCHEMBL16418082 0.89 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10LMNACHRM1
Acetic Acid Propyl Ester SCHEMBL2520332 0.87
Acetic Acid Propyl Ester SCHEMBL21749216 0.87 ALDH1A1 (0.67) ALDH1A1TSHRHSD17B10LMNACHRM1
Acetic Acid Propyl Ester SCHEMBL18229929 0.87
Acetic Acid Propyl Ester SCHEMBL9807768 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102349647-A Combination containing lutein ester and preparation method thereof DALIAN INNOBIOACTIVES CO LTD 2012-02-15 CN claimed
CN-117283950-A Laminate for lid, and package 株式会社力森诺科包装 2023-12-26 CN disclosed
CN-111606815-B Preparation method of phenylephrine hydrochloride impurity standard 珠海安哲生物科技有限公司 2022-02-11 CN disclosed
US-20210128797-A1 DRUG-LOADED IMPLANTED MEDICAL DEVICE AND PREPARATION METHOD THEREFOR SHANGHAI MICROPORT MEDICAL (GROUP) CO., LTD. (CN) 2021-05-06 US disclosed
EP-3730164-A1 DRUG-LOADED IMPLANTED MEDICAL DEVICE AND PREPARATION METHOD THEREFOR Shanghai MicroPort Medical (Group) Co., Ltd. (CN) 2020-10-28 EP disclosed
CN-111606815-A Preparation method of phenylephrine hydrochloride impurity standard 珠海安哲生物科技有限公司 2020-09-01 CN disclosed
CN-105777869-B The composition of cyclic peptide compound 上海天伟生物制药有限公司 2019-09-27 CN disclosed
CN-104919013-B Varnish for printing ink and printing ink composition using the same 东洋油墨SC控股株式会社 2017-03-15 CN disclosed
CN-105777869-A Cyclopeptide-type compound composition 上海天伟生物制药有限公司 2016-07-20 CN disclosed
US-20100234468-A1 NOVEL PROCESS GENERICS [UK] LIMITED (GB) 2010-09-16 US disclosed
US-20090197093-A1 PRINTING INK COMPOSITION OF SOLVENT RECOVERY/REUSE TYPE, DILUENT SOLVENT, AND METHOD OF REUSING RECOVERED SOLVENT TOYO INK MFG. CO., LTD. (JP) 2009-08-06 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-20100234468-A1 NOVEL PROCESS SULT2A1, SULT1A1, MSRB3 ALDH1A1 1247/4885TSHR 2597/4885HSD17B10 1926/4885

“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.