SCHEMBL11235344

SCHEMBL11235344

CCOC(=O)OC(Cl)CC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
SOAT1 P35610 1/20 0.48
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
TRPA1 O75762 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL609000 0.85 ALDH1A1 (0.35) ALDH1A1SOAT1
SCHEMBL28655911 0.83 ALDH1A1 (0.48) ALDH1A1SOAT1LMNAHSD17B10GAA
SCHEMBL21343092 0.83 HCAR2 (0.35) ALDH1A1SOAT1LMNASMN1; SMN2HCAR2
SCHEMBL575161 0.81
SCHEMBL10919035 0.81
SCHEMBL11144447 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11251165 0.79 ALDH1A1 (0.30) ALDH1A1TRPA1
SCHEMBL38665267 0.79 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2HPGDHCAR2
SCHEMBL9354654 0.79
SCHEMBL644043 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478391-B Ornidazole ester prodrug, pharmaceutical composition, and preparation method and application thereof 南京锐志生物医药有限公司 2023-09-15 CN claimed
US-4332729-A CATALYZED CYCLIZATION THE DOW CHEMICAL COMPANY (US) 1982-06-01 US claimed
CN-113831342-B Ketorolac derivative, pharmaceutical composition, and preparation method and application thereof 南京海融医药科技股份有限公司 2023-09-12 CN disclosed
EP-3587403-B1 N-SUBSTITUTED IMIDAZOLE CARBOXYLATE COMPOUND, PREPARATION METHOD AND USE WEST CHINA HOSPITAL SICHUAN UNIV (CN) 2023-08-23 EP disclosed
US-20230134672-A1 KETOROLACO DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF NANJING HERON PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2023-05-04 US disclosed
US-20230134672-A1 KETOROLACO DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF NANJING HERON PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2023-05-04 US disclosed
US-20230134672-A1 KETOROLACO DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF NANJING HERON PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2023-05-04 US disclosed
US-20230126556-A1 IBUPROFEN ESTER DERIVATIVE AND EMULSION PREPARATION THEREOF NANJING HERON PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2023-04-27 US disclosed
US-20230126556-A1 IBUPROFEN ESTER DERIVATIVE AND EMULSION PREPARATION THEREOF NANJING HERON PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2023-04-27 US disclosed
US-20230000812-A1 IBUPROFEN ESTER PRODRUG, PHARMACEUTICAL COMPOSITION, PREPARATION METHOD AND APPLICATION NANJING HERON PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2023-01-05 US disclosed
US-20220274911-A1 ARYLPROPIONIC ACID DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD AND APPLICATION THEREOF NANJING HERON PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2022-09-01 US disclosed
CN-113831342-A Ketorolac derivative, pharmaceutical composition, preparation method and application thereof 南京海融医药科技股份有限公司 2021-12-24 CN disclosed
CN-107652239-B N-substituted imidazole carboxylic ester compound, preparation method and application 四川大学华西医院 2020-08-04 CN disclosed
US-20200231546-A1 N-SUBSTITUTED IMIDAZOLE CARBOXYLATE COMPOUND, PREPARATION METHOD AND USE WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2020-07-23 US disclosed
EP-2755983-A1 SUBSTITUTED CARBONYLOXYMETHYLPHOSPHORAMIDATE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX Pharmaceuticals, Inc. (US) 2014-07-23 EP disclosed
WO-2013039920-A1 SUBSTITUTED CARBONYLOXYMETHYLPHOSPHORAMIDATE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2013-03-21 WO disclosed
EP-0060904-A1 A process for making vicinal epoxides and alkyl halides or alkylene dihalides from carbonate esters THE DOW CHEMICAL COMPANY (US) 1982-09-29 EP disclosed
US-4332729-A CATALYZED CYCLIZATION THE DOW CHEMICAL COMPANY (US) 1982-06-01 US disclosed
US-4331604-A Preparation of cyclic carbonates THE DOW CHEMICAL COMPANY (US) 1982-05-25 US disclosed
US-4261906-A DECOMPOSITION OF BETA-HALOALKYL CARBONATE IN PRESENCE OF QUATERNARY AMMONIUM OR PHOSPHONIUM SALT THE DOW CHEMICAL COMPANY (US) 1981-04-14 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 (5 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-20230000812-A1 IBUPROFEN ESTER PRODRUG, PHARMACEUTICAL COMPOSITION, PREPARATION METHOD AND APPLICATION PTGER1, CYP4A11, FABP4 ALDH1A1 851/4885SOAT1 1539/4885LMNA 2133/4885
US-20230134672-A1 KETOROLACO DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4A11, CYP4F11 ALDH1A1 155/4885SOAT1 325/4885LMNA 2135/4885
US-20230126556-A1 IBUPROFEN ESTER DERIVATIVE AND EMULSION PREPARATION THEREOF CYP2C9, CYP2C19, CYP4B1 ALDH1A1 828/4885SOAT1 2001/4885LMNA 3272/4885
US-20200231546-A1 N-SUBSTITUTED IMIDAZOLE CARBOXYLATE COMPOUND, PREPARATION METHOD AND USE CHRM1, CYP2C18, CYP2E1 ALDH1A1 1425/4885SOAT1 2543/4885LMNA 1556/4885
US-20220274911-A1 ARYLPROPIONIC ACID DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD AND APPLICATION THEREOF CYP2A7, CYP2A6, CYP3A7 ALDH1A1 43/4885SOAT1 2322/4885LMNA 1498/4885

“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.