SCHEMBL105697

SCHEMBL105697

COc1ccccc1OC(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.65
CA2 P00918 3/20 0.65
CA7 P43166 2/20 0.65
CA9 Q16790 2/20 0.65
CA12 O43570 1/20 0.65
CA4 P22748 1/20 0.65
CA14 Q9ULX7 1/20 0.65
KMT2A Q03164 2/20 0.59
IRAK4 Q9NWZ3 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 3/20 0.50
ACHE P22303 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
ADRA2B P18089 3/20 0.47
ADRA2A P08913 2/20 0.47
ADRA2C P18825 2/20 0.47

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
SCHEMBL31433095 1.00 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL29591819 0.89 ALDH1A1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL2069775 0.89 ALDH1A1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL1592406 0.85 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL28092870 0.84 CA12 (0.46) CA1CA2CA7CA9CA12
SCHEMBL11653999 0.83 ALDH1A1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL17789977 0.82 CA1 (0.54) CA1CA2CA7CA9CA12
SCHEMBL28851801 0.82 ALDH1A1 (0.52) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL28805731 0.81 CA1 (0.77) CA1CA2CA7CA9CA12
SCHEMBL24926175 0.81 CA1 (0.59) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115368218-A Method for preparing 4-diaryl methyl substituted phenol compound 湖南理工学院 2022-11-22 CN claimed
CN-107674000-B Method for purifying propoxur 湖南化工研究院有限公司 2020-08-14 CN claimed
CN-107674000-A A kind of purification process of arprocarb 湖南化工研究院有限公司 2018-02-09 CN claimed
US-8088797-B2 Substituted N-(4-cyano-1H-pyrazol-3-yl)methylamine derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US claimed
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-18 US claimed
WO-2000050381-A1 METHOD FOR PREPARING 2-AMINOBENZOPHENONE DERIVATIVES RHODIA CHIMIE (FR) 2000-08-31 WO claimed
EP-0365328-B1 Pyridine derivatives ZENECA LTD (GB) 1996-04-03 EP claimed
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US claimed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 EP claimed
CN-115368218-B Method for preparing 4-diaryl methyl substituted phenol compound 湖南理工学院 2024-01-02 CN disclosed
CN-115368218-A Method for preparing 4-diaryl methyl substituted phenol compound 湖南理工学院 2022-11-22 CN disclosed
WO-2021218997-A1 SUBSTITUTED FIVE-MEMBERED AZA-RING COMPOUND AND USE THEREOF IN DRUG 东莞市东阳光新药研发有限公司 2021-11-04 WO disclosed
US-20210238032-A1 FILTER ASSEMBLY 3M INNOVATIVE PROPERTIES COMPANY 2021-08-05 US disclosed
CN-107674000-B Method for purifying propoxur 湖南化工研究院有限公司 2020-08-14 CN disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 EP disclosed
EP-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 EP disclosed
EP-0365678-A1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1990-05-02 EP disclosed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 EP disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 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 (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-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT3, PRMT5, PRMT1 CA1 2676/4885CA2 1724/4885CA7 1966/4885

“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.