SCHEMBL5535142

SCHEMBL5535142

COC(=O)Cc1cc(-c2ccc(Cl)cc2)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.47
EGLN1 Q9GZT9 1/20 0.45
AKR1C3 P42330 1/20 0.42
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
SHMT1 P34896 1/20 0.41
SHMT2 P34897 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL13136741 0.87 ALDH1A1 (0.49) AKR1C3MAPK1ALDH1A1LMNAMAPT
SCHEMBL5582367 0.85 EGLN1 (0.43) ACLYEGLN1ALDH1A1LMNAKDM4E
SCHEMBL2355633 0.83 SHMT1 (0.41) ALDH1A1SHMT1SHMT2KDM4ESCN2A
SCHEMBL509730 0.83 SUCNR1 (0.50) ALDH1A1SHMT1SHMT2KDM4ESUCNR1
SCHEMBL14089365 0.82 SUCNR1 (0.43) ACLYEGLN1AKR1C3MAPK1ALDH1A1
SCHEMBL7103710 0.82 SUCNR1 (0.43) ACLYEGLN1AKR1C3MAPK1ALDH1A1
SCHEMBL811973 0.80 KDM4E (0.47) ACLYEGLN1AKR1C3MAPK1ALDH1A1
SCHEMBL10923842 0.78 ALDH1A1 (0.50) ACLYAKR1C3MAPK1ALDH1A1LMNA
SCHEMBL12650135 0.77 NPC1 (0.45) ALDH1A1LMNAKDM4E
SCHEMBL19068062 0.77 MAPT (0.58) MAPK1ALDH1A1MAPT

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 10 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-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 ACLY 759/4885EGLN1 1066/4885AKR1C3 1156/4885
US-20120040963-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD ACLY 759/4885EGLN1 1066/4885AKR1C3 1156/4885
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD ACLY 759/4885EGLN1 1066/4885AKR1C3 1156/4885
US-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD ACLY 759/4885EGLN1 1066/4885AKR1C3 1156/4885

“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.