SCHEMBL5539657

SCHEMBL5539657

CCOC(=O)Oc1c(-c2cc(-c3ccc(F)cc3)ccc2C)c(=O)n2n1CCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
MAPK13 O15264 3/20 0.34
MAPK12 P53778 3/20 0.34
MAPK11 Q15759 3/20 0.34
MAPK14 Q16539 3/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
OPRM1 P35372 1/20 0.34
PRKCZ Q05513 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 2/20 0.33
SSTR5 P35346 2/20 0.33
MAPK1 P28482 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
SCHEMBL5536318 0.85 MAPK13 (0.37) KMT2AMAPK13MAPK12MAPK11MAPK14
SCHEMBL10228007 0.83 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5542707 0.82 MAPK13 (0.35) TSHRMAPK13MAPK12MAPK11MAPK14
SCHEMBL14405307 0.81 ACACB (0.36) MEN1KMT2APDE3BPDE3AOPRM1
SCHEMBL14405343 0.78 MEN1 (0.34) TSHRMEN1KMT2ACYP1A2CYP3A4
SCHEMBL5542073 0.78 MAPK13 (0.36) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL5534703 0.76 BACE1 (0.41) MEN1KMT2ACYP3A4HTTKDM4E
SCHEMBL14405355 0.76 PRKCZ (0.35) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL14405329 0.76 POLB (0.35) TSHRMEN1KMT2AALOX15LMNA
SCHEMBL5534786 0.74 IKBKB (0.34) TSHRMAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987500-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2015-03-24 US disclosed
US-8987500-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2015-03-24 US disclosed
US-20140039215-A1 4-Biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-20140039215-A1 4-Biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-8586783-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2013-11-19 US disclosed
US-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AG (DE) 2013-01-17 US disclosed
US-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AG (DE) 2013-01-17 US disclosed
US-8168566-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2012-05-01 US disclosed
US-8168566-B2 4-biphenyl-substituted pyrazolidin-3,5-dione derivatives BAYER CROPSCIENCE AG (DE) 2012-05-01 US disclosed
US-8119566-B2 use as pesticides and/or herbicides and/or microbicides; for the selective control of weeds; synergistic; low application rates and concentrations; in particular in cereals (especially wheat) BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-8119566-B2 use as pesticides and/or herbicides and/or microbicides; for the selective control of weeds; synergistic; low application rates and concentrations; in particular in cereals (especially wheat) BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20120040963-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AG (DE) 2012-02-16 US disclosed
US-20120040963-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AG (DE) 2012-02-16 US disclosed
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-08-07 US disclosed
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-08-07 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 (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-20140039215-A1 4-Biphenyl-substituted pyrazolidin-3,5-dione derivatives DDT, CYP4X1, HPD TSHR 2297/4885MEN1 4539/4885KMT2A 2053/4885
US-20120040963-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD TSHR 2297/4885MEN1 4539/4885KMT2A 2053/4885
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD TSHR 2297/4885MEN1 4539/4885KMT2A 2053/4885
US-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD TSHR 2297/4885MEN1 4539/4885KMT2A 2053/4885

“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.