SCHEMBL728752

SCHEMBL728752

CC(N)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
KMT2A Q03164 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
SLC15A1 P46059 1/20 0.52
LTA4H P09960 2/20 0.51
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LAP3 P28838 1/20 0.50
ELANE P08246 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL313062 1.00 ALDH1A1 (0.60) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL2135198 1.00 ALDH1A1 (0.60) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL629929 0.98 ALDH1A1 (0.58) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL2135194 0.98 ALDH1A1 (0.58) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL1764407 0.98 ALDH1A1 (0.58) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL16991480 0.98 ALDH1A1 (0.58) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
Benzene SCHEMBL28241584 0.98 ALDH1A1 (0.58) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL21612229 0.96 ALDH1A1 (0.56) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
Alanine SCHEMBL28245512 0.96 ALDH1A1 (0.56) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
Alanine SCHEMBL28245513 0.96 ALDH1A1 (0.56) ALDH1A1KMT2ATDP1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3351551-B1 PREPARATION METHOD OF NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS AND INTERMEDIATES THEREOF BRIGHTGENE BIO MEDICAL TECH CO LTD (CN) 2022-12-07 EP claimed
CN-113354931-A Preparation method of PLA modified material 晋江凯基高分子材料有限公司 2021-09-07 CN claimed
CN-112409652-A Formula and production process of environment-friendly recycled transparent rubber and plastic material 晋江森溢新材料科技有限公司 2021-02-26 CN claimed
CN-112250924-A Formula and production process of environment-friendly recycled high-wear-resistance rubber and plastic material 晋江森溢新材料科技有限公司 2021-01-22 CN claimed
US-20180237466-A1 Preparation Method of Nucleoside Phosphoramidate Prodrugs and Intermediates Thereof BRIGHTGENE BIO-MEDICAL TECHNOLOGY CO., LTD. (CN) 2018-08-23 US claimed
EP-3351551-A1 PREPARATION METHOD OF NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS AND INTERMEDIATES THEREOF BrightGene Bio-Medical Technology Co., Ltd. (CN) 2018-07-25 EP claimed
CN-108026271-A The macromolecule conjugate of 6 coordinate platinum complex 日本化药株式会社 2018-05-11 CN claimed
CN-106749438-A A kind of Amadori compound synthesis method 华宝香精股份有限公司 2017-05-31 CN claimed
CN-103159827-B (1R, 3S)-1-p-nitrophenyl-tetrahydro-beta-carboline amic acid, its synthesis, anti-thrombus activity and application Capital Medical University (CN) 2016-03-30 CN claimed
CN-103159758-B (1S, 3S)-1-p-nitrophenyl-1,2,3,4-tetrahydro-beta-carboline amic acid, its synthesis, anti-thrombus activity and the application as antithrombotic agent Capital Medical University (CN) 2015-08-05 CN claimed
CN-1931854-A Intermediate for synthesizing fasidotril and its synthesis use SHANGHAI INST OF MEDICINE INDU (CN) 2007-03-21 CN claimed
US-6677483-B2 DISSOLVING DIETHYLENETRIAMINEPENTAACETIC- BISANHYDRIDE OF FORMULA IN DIMETHYL SULFOXIDE OR IN DIMETHYLFORMAMIDE OR IN A MIXTURE; ADDING SOLUBILIZER, AN AUXILIARY BASE AND A MONOAMINE OR DIAMINE, HEATING SCHERING AG (DE) 2004-01-13 US claimed
US-20020155065-A1 Process for the production of monoamides of DTPA SCHERING AG (DE) 2002-10-24 US claimed
CN-1178788-A Angiotensin invertase inhibitor contaiing 2 ,4 -methylene proline and its sythesis and use SHANGHAI INST ORGANIC CHEM (CN) 1998-04-15 CN claimed
US-5602161-A ELASTASE INHIBITORS; PREVENTING AND TREATING EMPHYSEMA, ENDOTOXIN-INDUCED LUNG DISORDERS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1997-02-11 US claimed
EP-0676396-A1 Tetrazolylphenyl pivalate derivatives and medicinal composition containing the same as effective component Wakamoto Pharmaceutical Co., Ltd. (JP) 1995-10-11 EP claimed
CN-1106386-A Synthetic process of Ramipril UNIV BEIJING (CN) 1995-08-09 CN claimed
CN-1003124-B Method for synthesizing ben butyl propylprolic acid 国家医药管理局上海医药工业研究院 1989-01-25 CN claimed
CN-85105258-A Process for synthesising enalapril 1986-12-31 CN claimed
US-4558034-A Inhibitors of bacterial collagenase THE BOARD OF TRUSTEES OF THE UNIVERSITY OF KENTUCKY (US) 1985-12-10 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20020155065-A1 Process for the production of monoamides of DTPA NAAA, PAM, DNPEP ALDH1A1 4498/4885KMT2A 248/4885TDP1 3902/4885
US-20180237466-A1 Preparation Method of Nucleoside Phosphoramidate Prodrugs and Intermediates Thereof PNP, PAPSS1, TYMP ALDH1A1 911/4885KMT2A 3921/4885TDP1 159/4885

“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.