SCHEMBL11545008

SCHEMBL11545008

Cc1ccccc1C1OC(=O)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
GAA P10253 2/20 0.48
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
TNKS2 Q9H2K2 2/20 0.45
PBRM1 Q86U86 1/20 0.45
KDM4E B2RXH2 3/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CGAS Q8N884 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
ALK Q9UM73 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.38

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
Dimethylamine SCHEMBL11269567 0.95 ALDH1A1 (0.56) ALDH1A1GAACA1CA2CA9
SCHEMBL15031986 0.82 CYP1A2 (0.46) ALDH1A1GAATNKS2PBRM1KDM4E
SCHEMBL11070253 0.80 ALDH1A1 (0.47) ALDH1A1GAACA1CA2CA9
SCHEMBL30807903 0.79 GAA (0.53) ALDH1A1GAATNKS2PBRM1KDM4E
SCHEMBL4970386 0.79 ALDH1A1 (0.50) ALDH1A1GAACA1CA2CA9
SCHEMBL14988905 0.79 ALDH1A1 (0.50) ALDH1A1GAACA1CA2CA9
SCHEMBL15256952 0.78 GAA (0.46) ALDH1A1GAATNKS2PBRM1KDM4E
SCHEMBL11545901 0.78 ALDH1A1 (0.73) ALDH1A1GAACA1CA2CA9
SCHEMBL9669498 0.77 ALDH1A1 (0.49) ALDH1A1GAACA1CA2CA9
SCHEMBL2334033 0.77 ALDH1A1 (0.61) ALDH1A1GAACA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112689758-B Device and method for checking the effect of a drug on microorganisms 上海宜晟生物科技有限公司 2025-03-28 CN claimed
CN-122025633-A Polymeric adhesive for electrochemical cells including labels 通用汽车环球科技运作有限责任公司 2026-05-12 CN disclosed
CN-115932126-B Detection method for measuring racemization-3-n-butylphthalide related substances by HPLC 河北菲尼斯生物技术有限公司 2025-06-06 CN disclosed
CN-112689758-B Device and method for checking the effect of a drug on microorganisms 上海宜晟生物科技有限公司 2025-03-28 CN disclosed
CN-119192109-A A pharmaceutical composition containing butylphthalide and its preparation method 成都施贝康生物医药科技有限公司 2024-12-27 CN disclosed
CN-115469039-B Butylphthalide and detection method of related substances thereof 成都施贝康生物医药科技有限公司 2024-04-26 CN disclosed
CN-117917987-A Loop-mediated isothermal amplification (LAMP) analysis of pathogenic targets 普渡研究基金会 2024-04-23 CN disclosed
CN-115453014-B Detection method of butylphthalide and related substances thereof 成都施贝康生物医药科技有限公司 2024-04-19 CN disclosed
CN-117881793-A Loop-mediated isothermal amplification (LAMP) analysis of pathogenic targets 普渡研究基金会 2024-04-12 CN disclosed
CN-116964433-A Flow cytometry panel design method based on modeling and minimizing spill diffusion and system for practicing the method 贝克顿·迪金森公司 2023-10-27 CN disclosed
CN-113477149-B Microfluidic devices and methods of making and using the same 贝克顿·迪金森公司 2023-09-12 CN disclosed
CN-116699057-A Chemical analysis method for strontium oxide content 蚌埠中光电科技有限公司 2023-09-05 CN disclosed
CN-116239602-A Impurity A in 3-butyl-1 (3H) -isobenzofuranone, and preparation method, detection method and application thereof 河北赛谱睿思医药科技有限公司 2023-06-09 CN disclosed
CN-115053135-A Method for quantifying extracellular vesicle surface markers and composition for carrying out the method 贝克顿·迪金森公司 2022-09-13 CN disclosed
US-4175191-A 4-Phenyl isoquinolines SANDOZ, INC. (US) 1979-11-20 US disclosed
US-3989704-A 3-Substituted-4-aryl isoquinolines SANDOZ, INC. (US) 1976-11-02 US disclosed