SCHEMBL6831046

SCHEMBL6831046

CCn1nnn(-c2cc(C(F)(F)F)ccc2C(=O)OC2=CC(=O)CCC2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.33
THRB P10828 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
ADORA1 P30542 2/20 0.31
MAPT P10636 2/20 0.31
APP P05067 1/20 0.31
HPD P32754 2/20 0.31
BRD9 Q9H8M2 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL6326322 0.79 CFTR (0.34) CFTRHPD
SCHEMBL6331247 0.75 MAPT (0.32) MAPT
SCHEMBL6334580 0.75 KDM5A (0.34) CFTRPDE4APDE4BPDE4CPDE4D
SCHEMBL6326584 0.73 PDE3B (0.34) MAPT
SCHEMBL6327258 0.72 MAPT (0.39) MAPT
SCHEMBL6331222 0.72 HTT (0.43) MAPT
SCHEMBL18212599 0.70 HPD (0.60) MAPTHPD
SCHEMBL5183669 0.70 GLA (0.39) MAPT
SCHEMBL6325427 0.67 MAPT (0.32) MAPT
SCHEMBL6335008 0.67 UGCG (0.35) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790810-B2 Tetrazolinone derivatives NIHON BAYER AGROCHEM K.K. (JP) 2004-09-14 US disclosed
US-20040102635-A1 Novel tetrazolinone derivatives YANAGI AKIHIKO (JP) 2004-05-27 US disclosed
US-6624121-B1 Exemplified by 2-cyano-3-cyclopropyl-1-(3-((4-cyclopropyl-4,5-dihydro-5-oxo-1H-tetrazol-1 -yl)methyl)-2, 4-dichlorophenyl)propan-1,3-dione NIHON BAYER AGROCHEM K.K. (JP) 2003-09-23 US disclosed
EP-1208090-A1 HERBICIDALTETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2002-05-29 EP disclosed
WO-2001010850-A1 HERBICIDAL TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2001-02-15 WO 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-20040102635-A1 Novel tetrazolinone derivatives CBR1, CBR3, CYP1B1 CFTR 780/4885THRB 1149/4885LIPG 4773/4885

“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.