SCHEMBL26420666

SCHEMBL26420666

COc1ccc2c(-c3ccc(OC)c(C)c3)ccnc2c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.74
ENPP3 O14638 1/20 0.52
ENPP1 P22413 1/20 0.52
KCNH2 Q12809 1/20 0.51
GRM4 Q14833 1/20 0.51
GAK O14976 1/20 0.47
RIPK2 O43353 1/20 0.47
COQ8A Q8NI60 1/20 0.47
NLK Q9UBE8 1/20 0.47
HTR1A P08908 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
DHFR P00374 1/20 0.44
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
TGFBR1 P36897 2/20 0.43
FERMT2 Q96AC1 1/20 0.43
BMP4 P12644 1/20 0.41

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
SCHEMBL28972005 0.88 TLR8 (0.69) TLR8ENPP3ENPP1KCNH2GRM4
SCHEMBL26127884 0.88 TLR8 (0.65) TLR8ENPP3ENPP1KCNH2GRM4
SCHEMBL26420600 0.88 TLR8 (0.58) TLR8ENPP3ENPP1HTR1AADRA1D
SCHEMBL31021032 0.87 TLR8 (0.67) TLR8ENPP3ENPP1KCNH2GRM4
SCHEMBL26128366 0.86 TLR8 (0.66) TLR8ENPP3ENPP1KCNH2GRM4
SCHEMBL23496982 0.85 TLR8 (1.00) TLR8ENPP3ENPP1KCNH2GRM4
SCHEMBL12988636 0.85 TLR8 (0.73) TLR8ENPP3ENPP1KCNH2GRM4
SCHEMBL28754511 0.85 TLR8 (0.67) TLR8ENPP3ENPP1KCNH2GRM4
SCHEMBL28972038 0.85 TLR8 (0.67) TLR8ENPP3ENPP1KCNH2GRM4
Hydrochloric Acid SCHEMBL28754494 0.84 TLR8 (0.97) TLR8ENPP3ENPP1KCNH2GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230132035-A1 Toll-Like Receptor 8 (TLR8)-Specific Antagonists and Methods of Making and Uses Thereof UNIV COLORADO REGENTS (US) 2023-04-27 US disclosed
US-20230132035-A1 Toll-Like Receptor 8 (TLR8)-Specific Antagonists and Methods of Making and Uses Thereof UNIV COLORADO REGENTS (US) 2023-04-27 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-20230132035-A1 Toll-Like Receptor 8 (TLR8)-Specific Antagonists and Methods of Making and Uses Thereof TLR8, TLR3, TLR9 TLR8 1/4885ENPP3 966/4885ENPP1 1020/4885

“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.