SCHEMBL5582368

SCHEMBL5582368

COC(=O)CCc1cc(Br)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
EGFR P00533 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
CYP1A2 P05177 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
IDO1 P14902 1/20 0.45
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 1/20 0.42
CASP3 P42574 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2912487 0.83 HPGD (0.41) HPGDEGFRKMT2AMEN1CYP1A2
SCHEMBL5348731 0.83 TAAR1 (0.50) KMT2AMEN1L3MBTL1HSD17B10NPSR1
SCHEMBL5041138 0.83 EGFR (0.46) HPGDEGFRKMT2AMEN1CYP1A2
SCHEMBL16294051 0.83 KDM4E (0.53) EGFRKMT2AMEN1L3MBTL1HSD17B10
SCHEMBL12808519 0.81 NPSR1 (0.61) HPGDKMT2AL3MBTL1HSD17B10KDM4E
SCHEMBL4503410 0.80 PPARG (0.45) HPGDEGFRKMT2AMEN1CYP1A2
SCHEMBL2130306 0.79 PDPK1 (0.52) HPGDEGFRKMT2AMEN1CYP1A2
SCHEMBL20561977 0.79 EGFR (0.46) HPGDEGFRKMT2AMEN1CYP1A2
SCHEMBL2473673 0.79 NPSR1 (0.50) HPGDEGFRKMT2AMEN1CYP1A2
SCHEMBL27504803 0.78 PTGDR2 (0.46) HPGDEGFRKMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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-20120040963-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD HPGD 1646/4885EGFR 3225/4885KMT2A 2053/4885
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD HPGD 1646/4885EGFR 3225/4885KMT2A 2053/4885
US-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD HPGD 1646/4885EGFR 3225/4885KMT2A 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.