SCHEMBL7690729

SCHEMBL7690729

CCOc1[c]ccc(CC)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
TRPA1 O75762 1/20 0.33
PTGS2 P35354 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
POLB P06746 1/20 0.31
TP53 P04637 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL27660874 0.83 TSHR (0.36) CYP1A2
SCHEMBL29280364 0.82 SKP2 (0.39)
SCHEMBL458330 0.82 PTGS2 (0.42) NOS3NOS1NOS2TRPA1PTGS2
SCHEMBL15352533 0.78 PTPN1 (0.31)
SCHEMBL11513183 0.78 NQO1 (0.36) NQO1CYP1A2POLBTP53
SCHEMBL128388 0.78 NQO1 (0.46) NQO1CYP1A2TP53
SCHEMBL15353293 0.77 TRPA1 (0.31) TRPA1PTGS2CYP1A2CYP2A6
SCHEMBL4751852 0.77 ALDH1A1 (0.44) CYP1A2TP53HTR2AHTR2B
SCHEMBL14639020 0.77 THRB (0.36) CYP1A2
SCHEMBL15352630 0.76 NQO1 (0.34) NQO1

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 20 patents. 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
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-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
EP-2841429-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-19 US disclosed
WO-2013162072-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
WO-2002072559-A1 PROCESS TO INTERMEDIATES FOR BIOLOGICALLY ACTIVE COMPOUNDS ROHM AND HAAS COMPANY (US) 2002-09-19 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-4820821-A ANTIDEPRESSANTS, ANTIHYPOTONIC AGENTS, ANTIPARKINSON DRUGS BASF AKTIENGESELLSCHAFT (DE) 1989-04-11 US disclosed
EP-0227941-A1 1-Phenyl-4-(1H)-pyridazinimines, their preparation and use BASF Aktiengesellschaft (DE) 1987-07-08 EP disclosed
EP-0078989-B1 PYRIDAZINONE IMINES AND THEIR PHYSIOLOGICALLY TOLERABLE ADDITION SALTS, PROCESS FOR THEIR PREPARATION AND THERAPEUTICAL AGENTS CONTAINING THOSE COMPOUNDS BASF Aktiengesellschaft (DE) 1985-05-08 EP disclosed
EP-0116853-A1 Pyridazinones, processes for preparing them, therapeutical compositions containing these compounds and their use BASF Aktiengesellschaft (DE) 1984-08-29 EP disclosed
EP-0042513-B1 DIHYDROPYRIDAZINONES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS BASF Aktiengesellschaft (DE) 1984-08-08 EP disclosed
US-4415571-A HYPOTENSIVE AGENTS; THROMBOSIS; ANTICOAGULANTS; CARDIOVASCULAR DISORDDERS BASF AKTIENGESELLSCHAFT (DE) 1983-11-15 US disclosed
EP-0078989-A1 Pyridazinone imines and their physiologically tolerable addition salts, process for their preparation and therapeutical agents containing those compounds BASF Aktiengesellschaft (DE) 1983-05-18 EP disclosed
EP-0042513-A1 Dihydropyridazinones, processes for their preparation and pharmaceutical compositions containing these compounds BASF Aktiengesellschaft (DE) 1981-12-30 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 1274/4885NOS3 1707/4885NOS1 1211/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 NQO1 2127/4885NOS3 1810/4885NOS1 2613/4885
US-20160272622-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MT-CO1, UQCRB, MT-CO2 NQO1 1274/4885NOS3 1707/4885NOS1 1211/4885

“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.