SCHEMBL3246917

SCHEMBL3246917

O=C(O)COc1cc(N2C(=O)C3CCCCC3C2=O)c(F)cc1Cl

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPOX P50336 9/20 0.75
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.42
PTGDR Q13258 3/20 0.42
PTGER2 P43116 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
STAT3 P40763 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL7808398 0.85 PPOX (0.67) PPOXKMT2ALMNAALDH1A1
SCHEMBL7817156 0.84 PPOX (0.63) PPOXKMT2ALMNAALDH1A1CYP1A2
SCHEMBL7820284 0.83 PPOX (0.68) PPOXKMT2ALMNAALDH1A1
SCHEMBL7817125 0.81 PPOX (0.63) PPOXKMT2ALMNA
SCHEMBL7821574 0.81 PPOX (0.76) PPOXKMT2ALMNAALDH1A1
SCHEMBL38427 0.80 PPOX (0.51) PPOX
SCHEMBL8383183 0.80 PPOX (0.66) PPOXKMT2ALMNAALDH1A1CYP1A2
SCHEMBL8065411 0.79 PPOX (0.70) PPOXKMT2ALMNAALDH1A1CYP1A2
SCHEMBL7818499 0.79 PPOX (0.63) PPOXKMT2ALMNA
SCHEMBL7810390 0.79 PPOX (0.69) PPOXKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752201-B1 SUSPENSION OF NANOSCALE, ORGANIC PARTICLES AND PROCESS FOR PRODUCTION THEREOF UNIV FRIEDRICH ALEXANDER ER (DE) 2023-11-22 EP disclosed
US-20100234226-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL-SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
WO-2010017926-A2 HERBICIDAL COMBINATION COMPRISING DIMETHOXY-TRIAZINYL-SUBSTITUTED DIFLUOROMETHANE SULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-02-18 WO disclosed
EP-1898705-B1 OIL SUSPENSION CONCENTRATE BAYER CROPSCIENCE AG (DE) 2009-10-14 EP disclosed
WO-2008141154-A2 NOVEL HERBICIDE RESISTANCE GENES DOW AGROSCIENCES LLC (US) 2008-11-20 WO disclosed
EP-1898705-A1 OIL SUSPENSION CONCENTRATE Bayer CropScience AG (DE) 2008-03-19 EP disclosed
EP-1890542-A1 HERBICIDES BAYER CROPSCIENCE AG (DE) 2008-02-27 EP disclosed
EP-1732392-A1 HERBICIDE COMBINATION Bayer CropScience GmbH (DE) 2006-12-20 EP disclosed
WO-2006131188-A1 HERBICIDES BAYER CROPSCIENCE AG (DE) 2006-12-14 WO disclosed
WO-2006131187-A1 OIL SUSPENSION CONCENTRATE BAYER CROPSCIENCE AG (DE) 2006-12-14 WO disclosed
US-20060276342-A1 Herbicidal compositions BAYER CROPSCIENCE GMBH (DE) 2006-12-07 US disclosed
EP-1728430-A1 Herbicidal agents Bayer CropScience GmbH (DE) 2006-12-06 EP disclosed
WO-2005092105-A1 HERBICIDE COMBINATION BAYER CROPSCIENCE GMBH (DE) 2005-10-06 WO disclosed
EP-1138201-B1 Aqueous pesticidal composition SUMITOMO CHEMICAL CO (JP) 2004-06-09 EP disclosed
US-6583087-B2 An aqueous herbicide formulation consists of a water soluble pesticide, water insoluble pesticide, a nonionic or anionic surfactant, anionic water soluble polymer, hydrophobic organic solvent and water SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-24 US disclosed
US-6498126-B1 Herbicide combination with acylated aminophenylsulfonylureas AVENTIS CROPSCIENCE GMBH (DE) 2002-12-24 US disclosed
US-20010031703-A1 Aqueous pesticidal composition SUMITOMO CHEMICAL CO., LTD. (JP) 2001-10-18 US disclosed
EP-1138201-A2 Aqueous pesticidal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-10-04 EP disclosed
WO-2000074488-A1 METHOD OF CONTROLLING WEEDS IN TRANSGENIC CROPS AVENTIS AGRICULTURE LTD. (GB) 2000-12-14 WO disclosed
US-6160206-A Porphyrin-accumulating type herbicide resistance gene SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-12-12 US 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 (2 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-20100234226-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL-SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES DDT, CBR3, AS3MT PPOX 1577/4885KMT2A 24/4885LMNA 3725/4885
US-20060276342-A1 Herbicidal compositions DDT, HDHD5, DGAT2 PPOX 1220/4885KMT2A 1141/4885LMNA 4445/4885

“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.