SCHEMBL921758

SCHEMBL921758

CCOc1cccc(Oc2cccc(C#N)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
TBXAS1 P24557 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PPARG P37231 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AR P10275 1/20 0.42
MAP4K4 O95819 1/20 0.42

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
SCHEMBL923347 0.93 LTA4H (0.59) LTA4HGABRG2GABRB3GABRA5GABRA3
SCHEMBL1821556 0.93 GABRG2 (0.54) LTA4HGABRG2GABRB3GABRA5GABRA3
SCHEMBL923351 0.89 LTA4H (0.58) LTA4HGABRG2GABRB3GABRA5GABRA3
SCHEMBL921871 0.86 LTA4H (0.56) LTA4HTBXAS1
SCHEMBL27839327 0.86 PDE4A (0.53) TBXAS1PDE4APDE4BPDE4CPDE4D
Ammonia Solution, Strong SCHEMBL3942718 0.85 GABRG2 (0.48) LTA4HGABRG2GABRB3GABRA5GABRA3
SCHEMBL9488001 0.84 TP53 (0.63) LTA4HTP53CYP3A4MAPK1HTT
SCHEMBL8379001 0.84 PDE4A (0.54) TBXAS1PDE4APDE4BPDE4CPDE4D
SCHEMBL27648625 0.83 LTA4H (0.50) LTA4HTP53CYP3A4MAPK1HTT
SCHEMBL11745385 0.82 LTA4H (0.73) LTA4HTP53CYP3A4MAPK1LMNA

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
CN-101951771-A Composition for agricultural use for controlling or preventing plant diseases caused by plant pathogens SUMITOMO CHEMICAL CO 2011-01-19 CN disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
WO-2009107764-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS 住友化学株式会社 (JP) 2009-09-03 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 LTA4H 3410/4885GABRG2 3766/4885GABRB3 4299/4885

“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.