SCHEMBL809133

SCHEMBL809133

COc1ccccc1[Mg]Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA12 O43570 1/20 0.55
CA4 P22748 1/20 0.55
CA14 Q9ULX7 1/20 0.55
ALDH1A1 P00352 6/20 0.44
TP53 P04637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
ADRA2B P18089 1/20 0.44
PTGS1 P23219 1/20 0.44
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
ENPP2 Q13822 1/20 0.41
ORAI1 Q96D31 1/20 0.40
ORAI2 Q96SN7 1/20 0.40
ORAI3 Q9BRQ5 1/20 0.40

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
SCHEMBL31145742 1.00 CA1 (0.55) CA1CA2CA7CA9CA12
Bromide SCHEMBL29185181 0.98 CA1 (0.52) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL15104848 0.96 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL8086767 0.80 CA1 (0.42) CA1CA2CA7CA9CA12
SCHEMBL7850271 0.79 KCNH2 (0.36) CA1CA2CA7CA9CA12
SCHEMBL162625 0.76 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL971062 0.76 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL29375470 0.76 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL7849178 0.76 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1MAPTHPGD
SCHEMBL7851855 0.76 IRAK4 (0.43) CA1CA2CA7CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57074306-A None JP disclosed
US-20220069354-A1 SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2022-03-03 US disclosed
EP-3904337-A1 SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL FUJIFILM Wako Pure Chemical Corporation (JP) 2021-11-03 EP disclosed
CN-113166043-A Electrolyte for sulfur-based magnesium battery 富士胶片和光纯药株式会社 2021-07-23 CN disclosed
CN-107176908-A A kind of synthetic method of the methoxy benzoyl chloride of 2 methyl 3 江苏科菲特生化技术股份有限公司 2017-09-19 CN disclosed
US-9163046-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-20 US disclosed
US-8420865-B2 Phosphine compound, process for producing the same, and peroxide scavenger using the same FUKUOKA UNIVERSITY (JP) 2013-04-16 US disclosed
US-8153830-B2 Production method of asymmetric copper complex crystal SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-10 US disclosed
EP-1593674-B1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-20 EP disclosed
US-7943799-B2 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
EP-0953564-B1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO LTD (JP) 2001-06-13 EP disclosed
US-6242377-B1 POLYMERIZATION IN PRESENCE OF BISOXAZOLINE WITH NICKEL, COBALT, PALLADIUM, RHODIUM, RUTHENIUM, ALUMINUM AND BORON COMPLEXES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-05 US disclosed
US-6072081-A Optically active bisoxazoline compounds, production and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-06 US disclosed
EP-0854135-B1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO LTD (JP) 2000-02-02 EP disclosed
US-5998652-A Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO., LTD. (JP) 1999-12-07 US disclosed
EP-0953564-A1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1999-11-03 EP disclosed
EP-0942010-A1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-15 EP disclosed
EP-0895992-A2 Copper complexes of optically active bisoxazolines as enantioselective catalysts in cyclopropanation reactions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-10 EP disclosed
EP-0854135-A2 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1998-07-22 EP disclosed
JP-S5774306-A PRODUCTION OF POLYOLEFIN NIPPON OIL CO LTD 1982-05-10 JP 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-20220069354-A1 SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL SLC26A3, PRDX4, PRDX2 CA1 22/4885CA2 12/4885CA7 146/4885

“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.