SCHEMBL923347

SCHEMBL923347

CCOc1ccc(Oc2cccc(C#N)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.59
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
NQO1 P15559 1/20 0.47
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
PGR P06401 1/20 0.45
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
PPARG P37231 1/20 0.42
AR P10275 1/20 0.42
MAP4K4 O95819 1/20 0.42
FABP1 P07148 1/20 0.42
TBXAS1 P24557 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
SCHEMBL921758 0.93 LTA4H (0.50) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL1821556 0.90 GABRG2 (0.54) LTA4HNQO1GABRG2GABRB3GABRA5
SCHEMBL923351 0.89 LTA4H (0.58) LTA4HNQO1GABRG2GABRB3GABRA5
SCHEMBL10923033 0.88 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPGR
SCHEMBL921023 0.87 LTA4H (0.62) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL921256 0.85 CYP2A6 (0.52) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL8379001 0.84 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPGR
SCHEMBL18641303 0.83 LTA4H (0.53) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL922270 0.83 AR (0.55) PDE4APDE4BPDE4CPDE4DPGR
SCHEMBL921857 0.83 FFAR1 (0.45) LTA4HPDE4APDE4BPDE4CPDE4D

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
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
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 3410/4885PDE4A 4539/4885PDE4B 4455/4885

“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.