SCHEMBL11965010

SCHEMBL11965010

CCc1nn(C(C)C)c(=O)c(-c2ccccc2C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HEXA P06865 1/20 0.40
HEXB P07686 1/20 0.40
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
ELANE P08246 1/20 0.35
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
MCL1 Q07820 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
HTT P42858 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL11965015 0.90 POLB (0.41) POLBHEXAHEXBPDE4APDE4B
SCHEMBL11965005 0.84 KDM4E (0.40) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL11965016 0.83 ELANE (0.38) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL11965007 0.83 HEXA (0.43) HEXAHEXBELANEBRD4KDM4E
SCHEMBL11965008 0.82 MAPT (0.43) HEXAHEXBPDE4APDE4BPDE4C
SCHEMBL23401037 0.81 HEXA (0.38) POLBHEXAHEXBALOX15ALDH1A1
SCHEMBL11965009 0.80 HEXA (0.40) HEXAHEXBBRD4KDM4EHSD17B10
SCHEMBL8902356 0.79 HEXA (0.38) HEXAHEXBELANEBRD4KDM4E
SCHEMBL8902391 0.78 ALDH1A1 (0.46) POLBHEXAHEXBPDE4APDE4B
SCHEMBL8900875 0.77 HEXA (0.38) HEXAHEXBBRD4KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242055-B2 Herbicidally and insecticidally active phenyl-substituted pyridazinones BAYER CROPSCIENCE AG (DE) 2012-08-14 US disclosed
US-20110118118-A1 HERBICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
US-20100184602-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2010-07-22 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 (2 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-20100184602-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX1, PNPO POLB 1087/4885HEXA 959/4885HEXB 483/4885
US-20110118118-A1 HERBICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES PNPO, PDXK, PRDX1 POLB 451/4885HEXA 677/4885HEXB 308/4885

“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.