SCHEMBL8902841

SCHEMBL8902841

CCc1nn(CC2CC2)c(=O)c(-c2ccccc2C)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGS2 P35354 1/20 0.38
HEXA P06865 1/20 0.37
HEXB P07686 1/20 0.37
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
HRH1 P35367 3/20 0.35
HRH3 Q9Y5N1 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
TDP2 O95551 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
SCHEMBL8901529 0.91 CNR2 (0.41) CNR2ALDH1A1LMNAL3MBTL1PTGS2
SCHEMBL8902294 0.88 ALDH1A1 (0.38) CNR2ALDH1A1LMNAL3MBTL1PTGS2
SCHEMBL8900799 0.87 ALDH1A1 (0.42) CNR2ALDH1A1LMNAL3MBTL1PTGS2
SCHEMBL11965008 0.85 MAPT (0.43) ALDH1A1LMNAHEXAHEXBPDE4A
SCHEMBL8900968 0.84 ALDH1A1 (0.40) CNR2ALDH1A1LMNAL3MBTL1PTGS2
SCHEMBL8903472 0.84 ALDH1A1 (0.40) CNR2ALDH1A1LMNAL3MBTL1PTGS2
SCHEMBL11965009 0.83 HEXA (0.40) ALDH1A1PTGS2HEXAHEXBALOX15
SCHEMBL8902391 0.81 ALDH1A1 (0.46) ALDH1A1HEXAHEXBPDE4APDE4B
SCHEMBL12603548 0.81 MAPT (0.36) ALDH1A1L3MBTL1HEXAHEXBALOX15
SCHEMBL8900875 0.80 HEXA (0.38) ALDH1A1PTGS2HEXAHEXBALOX15

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 CNR2 1525/4885ALDH1A1 1001/4885LMNA 1726/4885

“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.