SCHEMBL1987176

SCHEMBL1987176

O=C(Oc1[c]cccc1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ELANE P08246 2/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 3/20 0.40
HPGD P15428 2/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL1985469 0.92 POLB (0.50) KMT2AL3MBTL1ELANEMEN1RAB9A
SCHEMBL7261346 0.75 L3MBTL1 (0.35) KMT2AL3MBTL1SMN1; SMN2TDP1HPGD
SCHEMBL17938412 0.75 ALDH1A1 (0.50) RAB9A
SCHEMBL23366523 0.73 ELANE (0.52) KMT2AL3MBTL1ELANEMEN1RAB9A
SCHEMBL1416065 0.73 MEN1 (0.42) KMT2AL3MBTL1MEN1SMN1; SMN2TDP1
SCHEMBL131380 0.73 KDM4E (0.41) ELANEHTTTDP1HPGDESR1
SCHEMBL11409442 0.73 ELANE (0.45) KMT2AL3MBTL1ELANEMEN1RAB9A
SCHEMBL2291003 0.73 ELANE (0.45) KMT2AELANEMEN1RAB9AHTT
SCHEMBL16756212 0.72 L3MBTL1 (0.70) KMT2AL3MBTL1ELANEMEN1RAB9A
SCHEMBL7475908 0.72 ALDH1A1 (0.59) RAB9A

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 17 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
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
WO-2011076699-A1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-06-30 WO 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
EP-2516426-B1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2015-09-16 EP 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
EP-2516426-A1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES Bayer CropScience AG (DE) 2012-10-31 EP disclosed
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER CROPSCIENCE AG (DE) 2011-09-15 US disclosed
WO-2011076699-A1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-06-30 WO 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 (4 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-20150065541-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 KMT2A 2232/4885L3MBTL1 1175/4885ELANE 3992/4885
US-20160214970-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 KMT2A 2232/4885L3MBTL1 1175/4885ELANE 3992/4885
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 KMT2A 2232/4885L3MBTL1 1175/4885ELANE 3992/4885
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 KMT2A 2232/4885L3MBTL1 1175/4885ELANE 3992/4885

“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.