SCHEMBL30096465

SCHEMBL30096465

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.88
▸ MAPT P10636 3/20 0.88
▸ POLB P06746 3/20 0.88
▸ GAA P10253 3/20 0.88
▸ HES1 Q14469 2/20 0.88
▸ FANCF Q9NPI8 2/20 0.88
▸ XDH P47989 2/20 0.88
▸ KDM1A O60341 1/20 0.88
▸ PRSS1 P07477 1/20 0.88
▸ PRSS2 P07478 1/20 0.88
▸ ADRA2A P08913 1/20 0.88
▸ HMGB1 P09429 1/20 0.88
▸ CFTR P13569 1/20 0.88
▸ ADRA2C P18825 1/20 0.88
▸ MAOA P21397 1/20 0.88
▸ ACHE P22303 1/20 0.88
▸ MAPK1 P28482 1/20 0.88
▸ EPHX2 P34913 1/20 0.88
▸ PRSS3 P35030 1/20 0.88
▸ BACE1 P56817 1/20 0.88

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
SCHEMBL20802110 0.97 KDM4E (0.83) KDM4EMAPTPOLBGAAHES1
SCHEMBL20801873 0.97 KDM4E (0.83) KDM4EMAPTPOLBGAAHES1
SCHEMBL20801883 0.97 KDM4E (0.83) KDM4EMAPTPOLBGAAHES1
SCHEMBL30799342 0.95 KDM4E (0.90) KDM4EMAPTPOLBGAAHES1
SCHEMBL29531436 0.95 KDM4E (0.90) KDM4EMAPTPOLBGAAHES1
SCHEMBL27161084 0.95 KDM4E (0.90) KDM4EMAPTPOLBGAAHES1
Mauritianin SCHEMBL572331 0.94 P4HB (0.88) KDM4EMAPTPOLBGAAHES1
Mauritianin SCHEMBL18167030 0.94 P4HB (0.88) KDM4EMAPTPOLBGAAHES1
Mauritianin SCHEMBL3746601 0.94 P4HB (0.88) KDM4EMAPTPOLBGAAHES1
Mauritianin SCHEMBL572330 0.94 P4HB (0.88) KDM4EMAPTPOLBGAAHES1

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-20250339399-A1 SUPRAMOLECULAR SELF-ASSEMBLY SYSTEM BEIJING CREATRON INSTITUTE OF PHARMACEUTICAL RES CO LTD (CN) 2025-11-06 — — US disclosed
CN-115408992-A Model migration method and device 太保科技有限公司 2022-11-29 — — CN 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-20250339399-A1 SUPRAMOLECULAR SELF-ASSEMBLY SYSTEM S100A8, TP53, AQP1 KDM4E 4766/4885MAPT 259/4885POLB 1095/4885

“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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