SCHEMBL22861879

SCHEMBL22861879

CC(CO)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)CCC[C@]21C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.35
▸ SOD1 P00441 1/20 0.33
▸ FDPS P14324 1/20 0.31
▸ CYP19A1 P11511 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
SCHEMBL30190196 1.00 EP300 (0.35) EP300SOD1FDPSCYP19A1
SCHEMBL22862032 0.88 EP300 (0.40) EP300SOD1FDPSCYP19A1
SCHEMBL21291523 0.88 EP300 (0.40) EP300SOD1FDPSCYP19A1
SCHEMBL22861906 0.88 EP300 (0.40) EP300SOD1FDPSCYP19A1
SCHEMBL21291508 0.88 EP300 (0.40) EP300SOD1FDPSCYP19A1
SCHEMBL20089279 0.73 USP2 (0.39) EP300SOD1FDPSCYP19A1
SCHEMBL30190097 0.71 HIF1A (0.37) —
Taiwaniaquinol B SCHEMBL18105238 0.71 USP2 (0.37) EP300FDPSCYP19A1
Taiwaniaquinol E SCHEMBL31237185 0.71 USP2 (0.37) EP300FDPSCYP19A1
Taiwaniaquinol B SCHEMBL31237215 0.71 USP2 (0.37) EP300FDPSCYP19A1

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-20210000841-A1 COMPOUNDS THAT MODULATE VON WILLEBRAND FACTOR LEVELS AND THEIR USE IN THE TREATMENT OF BLOOD DISORDERS SOCIETE DES PRODUITS NESTLE S.A. (CH) 2021-01-07 — — 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-20210000841-A1 COMPOUNDS THAT MODULATE VON WILLEBRAND FACTOR LEVELS AND THEIR USE IN THE TREATMENT OF BLOOD DISORDERS F5, F2, F3 EP300 4632/4885SOD1 803/4885FDPS 124/4885

“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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