SCHEMBL8901211

SCHEMBL8901211

Cc1ccccc1-c1c(O)c(C(C)C)nn(CCc2ccccc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 12/20 0.43
TACR1 P25103 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
NR1I2 O75469 4/20 0.39
CASP3 P42574 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36

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
SCHEMBL8901251 0.91 CASR (0.37) CASRPDE4APDE4BPDE4CPDE4D
SCHEMBL8902971 0.88 PDE5A (0.44) TACR1PDE4APDE4BPDE4CPDE4D
SCHEMBL8901940 0.87 CASR (0.46) CASRTACR1PDE4APDE4BPDE4C
SCHEMBL11965014 0.87 PTGS2 (0.38) TACR1SMN1; SMN2
SCHEMBL8901027 0.85 CASR (0.41) CASRTACR1PDE4APDE4BPDE4C
SCHEMBL8902477 0.84 TACR1 (0.44) TACR1SMN1; SMN2
SCHEMBL11965018 0.84 MAPT (0.36) TACR1PDE4APDE4BPDE4CPDE4D
SCHEMBL8901216 0.84 CASR (0.44) CASRTACR1PDE4APDE4BPDE4C
SCHEMBL12603551 0.84 MAPT (0.37) CASRTACR1MAPT
SCHEMBL8902466 0.83 CASR (0.42) CASRTACR1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188008-B2 Herbicidally and insecticidally active 4-phenyl-substituted pyridazinones BAYER CROPSCIENCE AG (DE) 2012-05-29 US disclosed
US-20100173775-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE 4-PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2010-07-08 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 (1 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-20100173775-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE 4-PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX4, PRDX1 CASR 3764/4885TACR1 1742/4885PDE4A 540/4885

“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.