SCHEMBL921936

SCHEMBL921936

Fc1[c]ccc(Oc2ccccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
GRM5 P41594 1/20 0.39
FFAR4 Q5NUL3 3/20 0.39
HRH3 Q9Y5N1 1/20 0.39
BACE1 P56817 2/20 0.38
DRD1 P21728 3/20 0.38
PTGS2 P35354 2/20 0.38
LTA4H P09960 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAP4K4 O95819 1/20 0.37
SCN9A Q15858 1/20 0.35
PDE10A Q9Y233 1/20 0.35
GCK P35557 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
GPR39 O43194 1/20 0.34

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
SCHEMBL20240796 0.81 TLR4 (0.41) TLR4TLR2GRM5FFAR4HRH3
SCHEMBL919796 0.79 KDM4E (0.45) HRH3BACE1PTGS2LTA4HKDM4E
SCHEMBL920762 0.75 LTA4H (0.48) LTA4H
SCHEMBL692949 0.75 LTA4H (0.46) TLR4TLR2GRM5FFAR4HRH3
SCHEMBL920241 0.75 ALDH1A1 (0.47) TLR4TLR2KDM4E
SCHEMBL29612417 0.75 TLR4 (0.56) TLR4TLR2GRM5FFAR4HRH3
SCHEMBL12129555 0.75 TLR4 (0.56) TLR4TLR2GRM5FFAR4HRH3
SCHEMBL18984629 0.75 BACE1 (0.48) TLR4TLR2GRM5FFAR4HRH3
SCHEMBL18984715 0.75 MAP4K4 (0.50) TLR4TLR2GRM5FFAR4HRH3
SCHEMBL22061563 0.74 KDM4E (0.48) TLR4TLR2GRM5FFAR4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 TLR4 945/4885TLR2 1162/4885GRM5 287/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 TLR4 2996/4885TLR2 1883/4885GRM5 1690/4885

“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.