SCHEMBL11965015

SCHEMBL11965015

CCCc1nn(C(C)C)c(=O)c(-c2ccccc2C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
PDE5A O76074 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ELANE P08246 2/20 0.34
CMA1 P23946 2/20 0.33
BRD4 O60885 1/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 3/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL11965010 0.90 POLB (0.43) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL11965011 0.84 PDE5A (0.44) PDE5APDE3BPDE3ABRD4HEXA
SCHEMBL11965012 0.82 RECQL (0.43) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL23400076 0.82 USP2 (0.35) POLBPDE5APDE4APDE4BPDE4C
SCHEMBL11965005 0.82 KDM4E (0.40) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL11965017 0.81 PTGS2 (0.38) PDE5ACMA1BRD4HEXAHEXB
SCHEMBL11965016 0.81 ELANE (0.38) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL8901653 0.80 PDE5A (0.33) PDE5AELANEBRD4HEXAHEXB
SCHEMBL8900910 0.79 ALDH1A1 (0.47) POLBPDE5APDE4APDE4BPDE4C
SCHEMBL8900915 0.78 PTGS2 (0.35) PDE5ABRD4HEXAHEXB

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 1087/4885PDE5A 552/4885PDE4A 1042/4885
US-20110118118-A1 HERBICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES PNPO, PDXK, PRDX1 POLB 451/4885PDE5A 720/4885PDE4A 1014/4885

“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.