SCHEMBL5540686

SCHEMBL5540686

CCOCCOC(=O)Oc1c(-c2c(C)ccc(-c3ccc(Cl)cc3)c2C)c(=O)n2n1CCCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.34
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 4/20 0.32
HPGD P15428 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
ALOX15 P16050 2/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 2/20 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
SCHEMBL10274441 0.83 USP2 (0.32) PRKCZALDH1A1KDM4EHPGDALOX15
SCHEMBL14642594 0.83 NPC1 (0.33) PRKCZGAAALDH1A1KDM4EHPGD
SCHEMBL14064284 0.79 HRH3 (0.40) CYP1A2GAACYP2C9CYP2C19MAPT
SCHEMBL14405355 0.75 PRKCZ (0.35) PRKCZCYP1A2GAACYP2C19ALDH1A1
SCHEMBL5541915 0.74 ALDH1A1 (0.37) GAAALDH1A1KDM4EHPGDPOLB
SCHEMBL812213 0.73 ALOX5 (0.33) ALDH1A1HPGDKMT2ALMNATSHR
SCHEMBL14405307 0.70 ACACB (0.36) PRKCZALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL14405335 0.70 HRH2 (0.34) GAAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5539657 0.69 TSHR (0.37) PRKCZCYP1A2CYP2C19KDM4EHPGD
SCHEMBL12658247 0.67 CNR2 (0.35) GAAALDH1A1KDM4ESMN1; SMN2POLB

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 8 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-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-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-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

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 PRKCZ 1701/4885CYP1A2 24/4885GAA 1097/4885
US-20120040963-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD PRKCZ 1701/4885CYP1A2 24/4885GAA 1097/4885
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD PRKCZ 1701/4885CYP1A2 24/4885GAA 1097/4885
US-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD PRKCZ 1701/4885CYP1A2 24/4885GAA 1097/4885

“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.