SCHEMBL30472053

SCHEMBL30472053

COc1cc(-c2nc3cc(C4CCN(C(C)=O)CC4)ccc3[nH]2)cc(O)c1O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ QDPR P09417 3/20 0.56
▸ TLR7 Q9NYK1 5/20 0.53
▸ TLR8 Q9NR97 4/20 0.44
▸ TLR9 Q9NR96 3/20 0.44
▸ PRMT5 O14744 2/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ FASN P49327 1/20 0.43
▸ AMY1A P0DUB6 4/20 0.43
▸ CHEK2 O96017 2/20 0.42
▸ HTR2B P41595 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
SCHEMBL24141203 1.00 QDPR (0.56) QDPRTLR7TLR8TLR9PRMT5
SCHEMBL24140563 0.88 QDPR (0.53) QDPRTLR7TLR8TLR9PRMT5
SCHEMBL24140543 0.86 AMY1A (0.49) PDE4BAMY1A
SCHEMBL24141227 0.85 AMY1A (0.48) PDE4BAMY1A
SCHEMBL30472012 0.84 AMY1A (0.47) QDPRTLR7TLR8TLR9AMY1A
SCHEMBL25316441 0.84 AMY1A (0.47) QDPRTLR7TLR8TLR9AMY1A
SCHEMBL24140751 0.83 ALDH1A1 (0.52) AMY1ACHEK2
SCHEMBL24140523 0.79 KDM4E (0.47) TLR7TLR8AMY1AHTR2B
SCHEMBL30472059 0.79 KDM4E (0.47) TLR7TLR8AMY1AHTR2B
SCHEMBL25311414 0.78 AMY1A (0.46) PDE4BAMY1ACHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 — — 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-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF FEN1, ERCC4, DCLRE1B QDPR 2656/4885TLR7 844/4885TLR8 1246/4885

“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.

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