SCHEMBL920727

SCHEMBL920727

CCC#CCOc1c[c]ccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
KCNH2 Q12809 2/20 0.35
CYP19A1 P11511 2/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 2/20 0.32
HSD17B10 Q99714 1/20 0.32
GRM5 P41594 3/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL920460 0.87 KCNH2 (0.33) KCNH2KDM4EALDH1A1
SCHEMBL921394 0.84 ADAM17 (0.39) KCNH2
SCHEMBL919893 0.84 KCNH2 (0.35) KCNH2KDM4EALDH1A1
SCHEMBL920060 0.83 CHRNB2 (0.34)
SCHEMBL920988 0.82 LTA4H (0.34) PPARA
SCHEMBL4780221 0.81 KCNH2 (0.33) KCNH2GRM5
SCHEMBL9157543 0.81 KCNH2 (0.36) KCNH2
SCHEMBL23144 0.78 SMN1; SMN2 (0.36) KDM4EALDH1A1HSD17B10
SCHEMBL919681 0.78 MTNR1A (0.43) MTNR1AKCNH2CYP19A1KDM4EALDH1A1
SCHEMBL14085300 0.77 KCNH2 (0.53) MTNR1AKCNH2KDM4EALDH1A1CYP1A2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER CROPSCIENCE AG (DE) 2011-09-15 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-9247748-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-02 US disclosed
US-9167821-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
US-20150065541-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-05 US disclosed
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-27 US disclosed
US-8524743-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER CROPSCIENCE AG (DE) 2013-09-03 US disclosed
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER CROPSCIENCE AG (DE) 2011-09-15 US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 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 (6 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 MTNR1A 1569/4885KCNH2 2433/4885CYP19A1 4327/4885
US-20150065541-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 MTNR1A 2479/4885KCNH2 726/4885CYP19A1 97/4885
US-20160214970-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 MTNR1A 2479/4885KCNH2 726/4885CYP19A1 97/4885
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 MTNR1A 2479/4885KCNH2 726/4885CYP19A1 97/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 MTNR1A 1415/4885KCNH2 669/4885CYP19A1 2876/4885
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 MTNR1A 2479/4885KCNH2 726/4885CYP19A1 97/4885

“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.