SCHEMBL919681

SCHEMBL919681

CCC#CCOc1cc[c]cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.43
CYP19A1 P11511 3/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 5/20 0.37
PPARA Q07869 1/20 0.36
KCNH2 Q12809 4/20 0.36
NQO1 P15559 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ADAM17 P78536 2/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
CYP1A2 P05177 2/20 0.32
GRM5 P41594 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL920286 0.86 ALDH1A1 (0.38) MTNR1AALDH1A1KDM4EPPARAKCNH2
SCHEMBL921879 0.83 KCNH2 (0.42) ALDH1A1KDM4EPPARAKCNH2ADAM17
SCHEMBL919503 0.82 CHRNB2 (0.35) ALDH1A1KDM4ENQO1
SCHEMBL920519 0.82 ADAM17 (0.46) ADAM17MMP1MMP9MMP13
SCHEMBL921829 0.81 LTA4H (0.35) CYP19A1ALDH1A1KDM4ENQO1CYP1A2
SCHEMBL14085300 0.79 KCNH2 (0.53) MTNR1AALDH1A1KDM4EPPARAKCNH2
SCHEMBL920727 0.78 MTNR1A (0.39) MTNR1ACYP19A1ALDH1A1KDM4EPPARA
SCHEMBL14085293 0.78 GRM5 (0.50) MTNR1ACYP19A1ALDH1A1KDM4EPPARA
SCHEMBL14085292 0.78 KDM4E (0.57) MTNR1ACYP19A1ALDH1A1KDM4EPPARA
SCHEMBL9155604 0.78 KCNH2 (0.40) ALDH1A1KDM4EKCNH2

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 1569/4885CYP19A1 4327/4885ALDH1A1 2743/4885
US-20150065541-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 MTNR1A 2479/4885CYP19A1 97/4885ALDH1A1 1846/4885
US-20160214970-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 MTNR1A 2479/4885CYP19A1 97/4885ALDH1A1 1846/4885
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 MTNR1A 2479/4885CYP19A1 97/4885ALDH1A1 1846/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 MTNR1A 1415/4885CYP19A1 2876/4885ALDH1A1 4326/4885
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 MTNR1A 2479/4885CYP19A1 97/4885ALDH1A1 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.