SCHEMBL8900968

SCHEMBL8900968

Cc1ccccc1-c1c(O)c(C(C)C)nn(CC2CC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.40
CNR2 P34972 4/20 0.39
PTGS2 P35354 1/20 0.38
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
GHSR Q92847 2/20 0.34
NLRP3 Q96P20 1/20 0.34
KCNH2 Q12809 1/20 0.34
POLB P06746 1/20 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
SCHEMBL8900799 0.87 ALDH1A1 (0.42) ALDH1A1LMNAL3MBTL1MAPTCNR2
SCHEMBL8902294 0.85 ALDH1A1 (0.38) ALDH1A1LMNAL3MBTL1MAPTCNR2
SCHEMBL11965018 0.84 MAPT (0.36) LMNAMAPTKMT2AMEN1PDE4A
SCHEMBL8903472 0.84 ALDH1A1 (0.40) ALDH1A1LMNAL3MBTL1MAPTCNR2
SCHEMBL8902841 0.84 CNR2 (0.41) ALDH1A1LMNAL3MBTL1MAPTCNR2
SCHEMBL11965014 0.82 PTGS2 (0.38) ALDH1A1LMNAPTGS2KMT2AMEN1
SCHEMBL8901529 0.82 CNR2 (0.41) ALDH1A1LMNAL3MBTL1MAPTCNR2
SCHEMBL8902897 0.81 ELANE (0.34) KMT2AMEN1
SCHEMBL8902971 0.81 PDE5A (0.44) ALDH1A1KMT2AMEN1PDE4APDE4B
SCHEMBL8902940 0.80 METAP2 (0.38) ALDH1A1PTGS2

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 ALDH1A1 1001/4885LMNA 1726/4885L3MBTL1 1190/4885

“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.