SCHEMBL1986545

SCHEMBL1986545

CCSCc1[c]cccc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7625041 0.87 CYP1A2 (0.32)
SCHEMBL11567389 0.84
SCHEMBL11567924 0.81 KDM4E (0.38) KDM4EALDH1A1
SCHEMBL7990820 0.80 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL6450653 0.78
SCHEMBL7771860 0.76 TDP1 (0.33) KDM4EALDH1A1
SCHEMBL22715 0.76 MAP2K7 (0.34) ALDH1A1
SCHEMBL24915 0.75
SCHEMBL9635695 0.74
SCHEMBL11569809 0.73 ALDH1A1 (0.30) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102781937-B As two (difluoromethyl) pyrazoles of sterilant BAYER CROPSCIENCE AG (DE) 2015-09-30 CN claimed
EP-2516426-B1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2015-09-16 EP claimed
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-27 US claimed
US-8524743-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER CROPSCIENCE AG (DE) 2013-09-03 US claimed
EP-2516426-A1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES Bayer CropScience AG (DE) 2012-10-31 EP claimed
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER CROPSCIENCE AG (DE) 2011-09-15 US claimed
EP-1697578-B1 COMPOSITION FOR THE IMPREGNATION OF FIBERS, FABRICS AND NETTINGS IMPARTING A PROTECTIVE ACTIVITY AGAINST PESTS BASF SE (DE) 2011-08-31 EP claimed
WO-2011076699-A1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-06-30 WO claimed
EP-0944313-B1 INSECTICIDAL AND MITICIDAL COMPOSITIONS BASF AG (DE) 2002-09-25 EP claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
US-5741501-A Para-hydroxyphenylacetic acid for reducing the repellency of insecticides BAYER AKTIENGESELLSCHAFT (DE) 1998-04-21 US claimed
US-4965254-A Soil insecticide, miticide BAYER AKTIENGESELLSCHAFT (DE) 1990-10-23 US claimed
US-4272441-A CARBAMYLATION, PHOSGENE, ALCOHOL, AMINE FMC CORPORATION (US) 1981-06-09 US claimed
US-4254136-A Phenolic esters of N-trialkylureidothio-N-methyl carbamic acids useful as insecticides CIBA-GEIGY CORPORATION (US) 1981-03-03 US claimed
US-9751871-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-09-05 US disclosed
US-20160214970-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-28 US disclosed
US-4225615-A Insecticidal and nematicidal carbamates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-09-30 US disclosed
EP-0010515-A2 (N-methylcarbamoyl-(2,2-dimethyl-(2H,3H)-dihydrobenzofuran-7-yloxy)-(N'.N\".N\"-trialkyl urea)-N.N'-sulfide derivatives, process for their preparation, compositions containing these derivatives as active components and their use in combating insects CIBA-GEIGY AG (CH) 1980-04-30 EP disclosed
EP-0000895-A1 Aryl-N-alkylcarbamates, method for their preparation and their use as insecticides BAYER AG (DE) 1979-03-07 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-20160214970-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 KDM4E 2370/4885ALDH1A1 1846/4885
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 KDM4E 2370/4885ALDH1A1 1846/4885
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 KDM4E 2370/4885ALDH1A1 1846/4885

“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.