SCHEMBL11965005

SCHEMBL11965005

Cc1ccccc1-c1c(O)c(C)nn(C(C)C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ELANE P08246 1/20 0.39
POLB P06746 1/20 0.38
BRD4 O60885 1/20 0.38
PDE1A P54750 2/20 0.36
PDE1B Q01064 2/20 0.36
PDE1C Q14123 2/20 0.36
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
TP53 P04637 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 4/20 0.34
RAB9A P51151 3/20 0.34

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
SCHEMBL11965016 0.87 ELANE (0.38) KDM4EELANEPOLBBRD4PDE4A
SCHEMBL11965010 0.84 POLB (0.43) KDM4EELANEPOLBBRD4PDE4A
SCHEMBL11965015 0.82 POLB (0.41) KDM4EELANEPOLBBRD4PDE4A
SCHEMBL11965000 0.81 CDK8 (0.44) KDM4EELANEBRD4PDE4APDE4B
SCHEMBL23402420 0.79 PDE1A (0.39) KDM4EELANEPDE1APDE1BPDE1C
SCHEMBL11965004 0.77 PDE4A (0.41) KDM4EELANEBRD4PDE4APDE4B
SCHEMBL11965003 0.77 PDE9A (0.38) KDM4EELANEBRD4TP53NPSR1
SCHEMBL8900862 0.76 ELANE (0.35) KDM4EELANEPOLBBRD4NPSR1
SCHEMBL11965006 0.75 PTGS2 (0.40) KDM4EPOLBBRD4NPSR1ALDH1A1
SCHEMBL11965013 0.74 SMN1; SMN2 (0.41) KDM4EELANEBRD4TP53ALDH1A1

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 KDM4E 1001/4885ELANE 3116/4885POLB 1087/4885
US-20110118118-A1 HERBICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES PNPO, PDXK, PRDX1 KDM4E 1536/4885ELANE 2811/4885POLB 451/4885

“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.