SCHEMBL23919993

SCHEMBL23919993

CCCCCCC(C)(CC)CCCn1cccn1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
NOS1 P29475 2/20 0.34
TBXAS1 P24557 1/20 0.33
DAO P14920 1/20 0.33
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL23920419 0.92 TLR8 (0.37) TLR8TLR7NOS1TBXAS1DAO
SCHEMBL23139161 0.82 NOS1 (0.36) TLR8TLR7NOS1TBXAS1
SCHEMBL6114716 0.81 TBXAS1 (0.47) TLR8TLR7NOS1TBXAS1DAO
SCHEMBL6114927 0.81 TBXAS1 (0.47) TLR8TLR7NOS1TBXAS1DAO
SCHEMBL11438392 0.81 TBXAS1 (0.47) TLR8TLR7NOS1TBXAS1DAO
SCHEMBL11440961 0.81 TBXAS1 (0.47) TLR8TLR7NOS1TBXAS1DAO
SCHEMBL5691507 0.81 TBXAS1 (0.47) TLR8TLR7NOS1TBXAS1DAO
SCHEMBL6114640 0.81 TBXAS1 (0.47) TLR8TLR7NOS1TBXAS1DAO
SCHEMBL6114991 0.81 TBXAS1 (0.47) TLR8TLR7NOS1TBXAS1DAO
SCHEMBL3312967 0.81 TBXAS1 (0.47) TLR8TLR7NOS1TBXAS1DAO

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-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 US disclosed
US-20210317114-A1 SMALL MOLECULE INHIBITORS OF INTERLEUKIN-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2021-10-14 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 (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-12043621-B2 Small molecule inhibitors of Interleukin-4 IL4, IL2, IL4I1 TLR8 717/4885TLR7 1121/4885NOS1 2110/4885
US-20210317114-A1 SMALL MOLECULE INHIBITORS OF INTERLEUKIN-4 IL4, IL2, IL4I1 TLR8 717/4885TLR7 1121/4885NOS1 2110/4885

“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.