SCHEMBL1855558

SCHEMBL1855558

[C]#Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.48
FFAR1 O14842 1/20 0.47
SLC22A12 Q96S37 1/20 0.39
GPR3 P46089 3/20 0.39
EPHX2 P34913 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
KAT6A Q92794 2/20 0.38
KIF11 P52732 2/20 0.38
CETP P11597 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
DAO P14920 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
SCHEMBL99250 0.81 FFAR1 (0.50) GRM5FFAR1SLC22A12GPR3EPHX2
SCHEMBL689277 0.81 GRM5 (0.48) GRM5FFAR1KAT6ACETP
SCHEMBL29890893 0.81 GRM5 (0.48) GRM5FFAR1SLC22A12GPR3KAT6A
SCHEMBL1477053 0.81 GRM5 (0.48) GRM5FFAR1SLC22A12GPR3KAT6A
SCHEMBL29478762 0.81 GRM5 (0.48) GRM5FFAR1KAT6ACETP
SCHEMBL4293314 0.81 GRM5 (0.48) GRM5FFAR1SLC22A12GPR3KAT6A
SCHEMBL13597746 0.79 GRM5 (0.53) GRM5FFAR1SLC22A12GPR3KCNH2
SCHEMBL3147185 0.79 GPR3 (0.50) SLC22A12GPR3EPHX2KIF11CETP
SCHEMBL16984726 0.78 GRM5 (0.56) GRM5FFAR1GPR3EPHX2KCNH2
SCHEMBL1862532 0.75 MAPT (0.42) GPR3EPHX2KCNH2SCN10AKIF11

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8466176-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2013-06-18 US disclosed
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-05 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-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HAAO, CYP51A1, HPD GRM5 603/4885FFAR1 2144/4885SLC22A12 3784/4885

“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.