Acetic Acid Propyl Ester

Acetic Acid Propyl Ester

SCHEMBL1780772

CCCOC(C)=O.Cc1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
ALDH1A1 P00352 7/20 0.53
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAD52 P43351 1/20 0.43
TSHR P16473 4/20 0.42
ALOX12 P18054 1/20 0.42
ACHE P22303 1/20 0.42
GRM6 O15303 1/20 0.42
SLC18A3 Q16572 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
ESR1 P03372 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
KDR P35968 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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 SCHEMBL27540158 0.98 LMNA (0.55) LMNAALDH1A1SMN1; SMN2GAAHPGD
Toluene SCHEMBL6619657 0.90 ALDH1A1 (0.55) LMNAALDH1A1SMN1; SMN2HSD17B10RAD52
P-Xylene SCHEMBL7256576 0.90 ALDH1A1 (0.52) LMNAALDH1A1SMN1; SMN2GAAHPGD
Acetic Acid Butyl Ester SCHEMBL8464588 0.89 ALDH1A1 (0.64) LMNAALDH1A1SMN1; SMN2HPGDHSD17B10
Acetic Acid Butyl Ester SCHEMBL20540736 0.89 ALDH1A1 (0.64) LMNAALDH1A1SMN1; SMN2HPGDHSD17B10
Acetic Acid Butyl Ester SCHEMBL9577010 0.89 ALDH1A1 (0.64) LMNAALDH1A1SMN1; SMN2HPGDHSD17B10
Acetic Acid Butyl Ester SCHEMBL302627 0.89 ALDH1A1 (0.64) LMNAALDH1A1SMN1; SMN2HPGDHSD17B10
Acetic Acid Pentyl Ester SCHEMBL3179656 0.87 TSHR (0.57) LMNAALDH1A1SMN1; SMN2HSD17B10TSHR
Acetic Acid Butyl Ester SCHEMBL27662482 0.87 ALDH1A1 (0.62) LMNAALDH1A1SMN1; SMN2HPGDHSD17B10
Acetic Acid Butyl Ester SCHEMBL9444274 0.87 ALDH1A1 (0.62) LMNAALDH1A1SMN1; SMN2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101874845-A Quality control method for Chinese medicinal preparation for treating urinary infection GUIYANG CHUNKE PHARMACEUTICAL TECHNOLOGY R & D CO LTD 2010-11-03 CN claimed
US-8318696-B2 Polysaccharides with antithrombotic activity comprising at least one covalent bond with biotin or a biotin derivative SANOFI (FR) 2012-11-27 US disclosed
US-20110144042-A1 Novel Polysaccharides with Antithrombotic Activity Comprising at Least One Covalent Bond with Biotin or a Biotin Derivative SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
US-7943595-B2 Polysaccharides with antithrombotic activity comprising at least one covalent bond with biotin or a biotin derivative SANOFI-AVENTIS (FR) 2011-05-17 US disclosed
US-20060160768-A1 Novel polysaccharides with antithrombotic activity comprising at least one covalent bond with biotin or a biotin derivative SANOFI (FR) 2006-07-20 US disclosed
CN-1235914-C Polysaccharide with antithrombotic activity comprising at least one covalent bond with biotin or a biotin derivative SANOFI AVENTIS (FR) 2006-01-11 CN disclosed
CN-1200003-C Synthetic polysaccharides, preparation method therefor and pharmaceutical compositions containing same SANOFI ANVENTIS SA (FR) 2005-05-04 CN disclosed
US-6844329-B2 Polysaccharides with antithrombotic activity comprising at least a covalent bond with biotin or a biotin derivative SANOFI-SYNTHELABO (FR) 2005-01-18 US disclosed
US-20040024197-A1 Polysaccharides with antithrombotic activity comprising at least a covalent bond with biotin or a biotin derivative SANOFI (FR) 2004-02-05 US disclosed
CN-1466594-A Polysaccharides with antithrombotic activity comprising at least a covalent bono with biotin or a biotin derivative ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-01-07 CN disclosed
US-6534481-B1 Antithrombin III binding domain consisting of a concatenation of five monosaccharides supporting a total of two carboxylic acid functions and at least four sulpho groups, said domain being directly bound at the non-reducing end by a thrombin SANOFI-SYNTHELABO (FR) 2003-03-18 US disclosed
CN-1228785-A Synthetic polysaccharides, preparation method therefor and pharmaceutical compositions containing same SANOFI SA (FR) 1999-09-15 CN disclosed
EP-0514900-B1 Inorganic-organic composite subbing layers for thermal dye transfer donor EASTMAN KODAK CO (US) 1995-03-29 EP disclosed
EP-0514900-A1 Inorganic-organic composite subbing layers for thermal dye transfer donor EASTMAN KODAK COMPANY (US) 1992-11-25 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 (3 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-20060160768-A1 Novel polysaccharides with antithrombotic activity comprising at least one covalent bond with biotin or a biotin derivative SERPINC1, SELP, FGB LMNA 1409/4885ALDH1A1 1499/4885SMN1; SMN2 4757/4885
US-20040024197-A1 Polysaccharides with antithrombotic activity comprising at least a covalent bond with biotin or a biotin derivative SERPINC1, SELP, FGB LMNA 1157/4885ALDH1A1 1402/4885SMN1; SMN2 4769/4885
US-20110144042-A1 Novel Polysaccharides with Antithrombotic Activity Comprising at Least One Covalent Bond with Biotin or a Biotin Derivative SERPINC1, SELP, FGB LMNA 1409/4885ALDH1A1 1499/4885SMN1; SMN2 4757/4885

“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.