SCHEMBL8901216

SCHEMBL8901216

CCc1nn(CCc2ccccc2)c(=O)c(-c2ccccc2C)c1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.44
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALOX15 P16050 1/20 0.39
NR1I2 O75469 4/20 0.39
TACR1 P25103 1/20 0.38
HEXA P06865 1/20 0.37
HEXB P07686 1/20 0.37
CASP3 P42574 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL8902466 0.92 CASR (0.42) CASRPDE4APDE4BPDE4CPDE4D
SCHEMBL8901050 0.91 ADRA1A (0.40) CASRPDE4APDE4BPDE4CPDE4D
SCHEMBL8902391 0.88 ALDH1A1 (0.46) PDE4APDE4BPDE4CPDE4DALOX15
SCHEMBL11965009 0.88 HEXA (0.40) ALOX15HEXAHEXBKDM4EALDH1A1
SCHEMBL8901027 0.88 CASR (0.41) CASRPDE4APDE4BPDE4CPDE4D
SCHEMBL8901940 0.87 CASR (0.46) CASRPDE4APDE4BPDE4CPDE4D
SCHEMBL11965008 0.85 MAPT (0.43) PDE4APDE4BPDE4CPDE4DALOX15
SCHEMBL8901319 0.85 MAPT (0.41) CASRPDE4APDE4BPDE4CPDE4D
SCHEMBL8901006 0.84 TACR1 (0.42) CASRALOX15TACR1HEXAHEXB
SCHEMBL12603547 0.84 BRD4 (0.38) ALOX15TACR1HEXAHEXBALDH1A1

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 3764/4885PDE4A 540/4885PDE4B 534/4885

“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.