SCHEMBL626744

SCHEMBL626744

CCCCCC1CNNC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 1/20 0.41
GBA1 P04062 5/20 0.39
SPHK1 Q9NYA1 2/20 0.38
GUSB P08236 1/20 0.38
EPHX1 P07099 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GLB1 P16278 3/20 0.36
GBA2 Q9HCG7 2/20 0.36
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL11208478 0.92
SCHEMBL7569033 0.84
SCHEMBL21011949 0.82 ALDH1A1 (0.44) CYP1A2ALDH1A1GBA1SPHK1GUSB
SCHEMBL20344863 0.80
SCHEMBL9830506 0.78 ALDH1A1 (0.41) CYP1A2ALDH1A1GBA1SPHK1GUSB
SCHEMBL9239822 0.77 GNAO1 (0.42) ALDH1A1GBA1SPHK1GUSBEPHX1
SCHEMBL11540777 0.77 GNAO1 (0.42) ALDH1A1GBA1SPHK1GUSBEPHX1
SCHEMBL10642680 0.76
SCHEMBL6400664 0.75 CYP1A2 (0.39) CYP1A2ALDH1A1GBA1SPHK1GUSB
SCHEMBL10569484 0.75 CYP1A2 (0.62) CYP1A2ALDH1A1EPHX1MEN1KMT2A

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 40 patents — showing the first 20. 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-8058210-B2 Arylphenyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2011-11-15 US disclosed
US-7718706-B2 Arylphenyl-substituted cyclic keto-enols BAYER AKTIENGESELLSCHAFT (DE) 2010-05-18 US disclosed
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS LIEB FOLKER 2010-04-08 US disclosed
US-6451843-B1 Arylphenyl-substituted cyclic keto enols BAYER AKTIENGESELLSCHAFT (DE) 2002-09-17 US disclosed
US-6417370-B1 HERBICIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-07-09 US disclosed
EP-1204638-A1 BIPHENYL-SUBSTITUTED CYCLIC KETO ENOLS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2002-05-15 EP disclosed
EP-1075465-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO ENOLS BAYER AG (DE) 2001-02-14 EP disclosed
WO-2001009092-A1 BIPHENYL-SUBSTITUTED CYCLIC KETO ENOLS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed
EP-1066258-A1 ARYL PHENYL SUBSTITUTED CYCLIC KETOENOLS Bayer Aktiengesellschaft (DE) 2001-01-10 EP disclosed
EP-1056717-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS Bayer Aktiengesellschaft (DE) 2000-12-06 EP disclosed
WO-1999055673-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO ENOLS BAYER AKTIENGESELLSCHAFT (DE) 1999-11-04 WO disclosed
WO-1999048869-A1 ARYL PHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER AKTIENGESELLSCHAFT (DE) 1999-09-30 WO disclosed
WO-1999043649-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS BAYER AKTIENGESELLSCHAFT (DE) 1999-09-02 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-20140039215-A1 4-Biphenyl-substituted pyrazolidin-3,5-dione derivatives DDT, CYP4X1, HPD CYP1A2 24/4885ALDH1A1 1105/4885GBA1 2759/4885
US-20120040963-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD CYP1A2 24/4885ALDH1A1 1105/4885GBA1 2759/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 CYP1A2 26/4885ALDH1A1 2569/4885GBA1 1407/4885
US-20130018202-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD CYP1A2 24/4885ALDH1A1 1105/4885GBA1 2759/4885

“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.