SCHEMBL6022980

SCHEMBL6022980

[CH2]c1c(OC(F)(F)F)cc(C)cc1OC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
GPR3 P46089 1/20 0.33
PGK1 P00558 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
HSD11B1 P28845 1/20 0.33
SCN9A Q15858 2/20 0.32
GRIN2B Q13224 1/20 0.31
PDE2A O00408 1/20 0.31
S1PR1 P21453 1/20 0.31
EPHX2 P34913 1/20 0.30
KCNK3 O14649 1/20 0.30
KCNK9 Q9NPC2 1/20 0.30

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
SCHEMBL6023820 0.79 EPHX2 (0.38) GPR3PDE2AEPHX2
SCHEMBL3184776 0.79 GPR3 (0.36) GPR3SCN9AEPHX2
SCHEMBL20930789 0.79 ACHE (0.41) ACHEGPR3PGK1FFAR4HSD11B1
SCHEMBL6024048 0.78 ALDH1A1 (0.40)
SCHEMBL6023500 0.77 KDM4E (0.36) EPHX2
SCHEMBL6023114 0.77 PGK1 (0.33) PGK1GRIN2BEPHX2
SCHEMBL10895713 0.76 FFAR4 (0.39) ACHEGPR3PGK1FFAR4GRIN2B
SCHEMBL27045848 0.74 FFAR4 (0.38) ACHEGPR3PGK1FFAR4HSD11B1
SCHEMBL14032971 0.74 PDE2A (0.36) ACHEGPR3PGK1FFAR4HSD11B1
SCHEMBL13523564 0.73 ACHE (0.48) ACHEGPR3HSD11B1SCN9APDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101900-B2 Benzyl amidoxime derivatives, intermediate products and method for their production and use as fungicides BASF AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
US-20050187265-A1 Novel benzyl amidoxime derivatives, intermediate products and method for their production and use as fungicides RHEINHEIMER JOACHIM (DE) 2005-08-25 US disclosed
US-6881742-B1 Benzyl amidoxime derivatives, intermediate products and method for their production and use as fungicides BASF AKTIENGESELLSCHAFT (DE) 2005-04-19 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-20050187265-A1 Novel benzyl amidoxime derivatives, intermediate products and method for their production and use as fungicides CBR3, CBR1, CYP1B1 ACHE 2564/4885GPR3 1061/4885PGK1 4247/4885

“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.