SCHEMBL2969331

SCHEMBL2969331

CCOc1[c]cccc1Br

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.34
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LTA4H P09960 1/20 0.31
LMNA P02545 1/20 0.31
HTR7 P34969 1/20 0.31
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL29108684 0.85 HPGD (0.31) NQO1HPGD
SCHEMBL2965018 0.85 CA12 (0.33) HPGDMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL2970833 0.83 LTA4H (0.38) TDP1L3MBTL1SMN1; SMN2LTA4HTSHR
SCHEMBL29027260 0.81
SCHEMBL10883252 0.80
SCHEMBL285182 0.78 ALDH1A1 (0.45) NQO1HPGDMAPTTDP1L3MBTL1
SCHEMBL2456321 0.78 NQO1 (0.36) NQO1MAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL1068357 0.77
SCHEMBL1301197 0.76 CA12 (0.37) NQO1HPGDMAPTL3MBTL1SMN1; SMN2
SCHEMBL2974066 0.76 L3MBTL1 (0.37) NQO1MAPTL3MBTL1ALDH1A1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-10077254-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-09-18 US disclosed
EP-3059233-B1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME SUMITOMO CHEMICAL CO (JP) 2017-12-20 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-20160272622-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-22 US disclosed
EP-3059233-A1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Limited (JP) 2016-08-24 EP disclosed
US-9163046-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-20 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
WO-2006065844-A2 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed
EP-1115700-A1 OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES BAYER AG (DE) 2001-07-18 EP disclosed
WO-2000017157-A1 OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-30 WO disclosed
US-4379788-A HYPOTENSIVES, ANTIARRHYTHMIA, B-BLOCKERS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-04-12 US disclosed
US-4289526-A FUNGICIDES, HERBICIDES, BACTERICIDES, PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-09-15 US disclosed
US-4277469-A FUNGICIDES, PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-07-07 US disclosed
EP-0023756-A2 Triazol and imidazol derivatives; processes for their preparation, pesticidal compositions containing them and their use; preparation of intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-02-11 EP disclosed
US-4217129-A Fungicidal and herbicidal triazole ketones IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-08-12 US disclosed
EP-0009298-A1 Heterocyclic compounds, processes for their preparation, pesticidal compositions containing them and methods of combating pests IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-04-02 EP disclosed
EP-0007707-A1 1,3-Diazol- and 1,2,4-triazol-derivatives, processes for their preparation, pesticidal compositions containing them and methods of combating pests IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-02-06 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 (3 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-10077254-B2 Tetrazolinone compound and use thereof MT-CO1, UQCRB, MT-CO2 NQO1 1274/4885HPGD 4321/4885MAPT 3682/4885
US-20160272622-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MT-CO1, UQCRB, MT-CO2 NQO1 1274/4885HPGD 4321/4885MAPT 3682/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX NQO1 1187/4885HPGD 1114/4885MAPT 4724/4885

“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.