SCHEMBL21291508

SCHEMBL21291508

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.40
▸ USP2 O75604 3/20 0.36
▸ CYP3A4 P08684 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ TP53 P04637 3/20 0.34
▸ CYP19A1 P11511 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ FDPS P14324 8/20 0.34
▸ PTGES O14684 2/20 0.34
▸ PNLIP P16233 2/20 0.34
▸ SOD1 P00441 1/20 0.33
▸ GGPS1 O95749 4/20 0.32
▸ BCL9 O00512 3/20 0.32
▸ CTNNB1 P35222 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32

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
SCHEMBL21291523 1.00 EP300 (0.40) EP300USP2CYP3A4MEN1KMT2A
SCHEMBL22862032 1.00 EP300 (0.40) EP300USP2CYP3A4MEN1KMT2A
SCHEMBL22861906 1.00 EP300 (0.40) EP300USP2CYP3A4MEN1KMT2A
SCHEMBL22861879 0.88 EP300 (0.35) EP300CYP19A1FDPSSOD1
SCHEMBL30190196 0.88 EP300 (0.35) EP300CYP19A1FDPSSOD1
SCHEMBL20089279 0.82 USP2 (0.39) EP300USP2CYP3A4MEN1KMT2A
Taiwaniaquinol B SCHEMBL18105238 0.79 USP2 (0.37) EP300USP2CYP3A4MEN1KMT2A
Taiwaniaquinol E SCHEMBL31237185 0.79 USP2 (0.37) EP300USP2CYP3A4MEN1KMT2A
Taiwaniaquinol B SCHEMBL31237215 0.79 USP2 (0.37) EP300USP2CYP3A4MEN1KMT2A
SCHEMBL18290368 0.77 FDPS (0.43) USP2CYP3A4MEN1KMT2AMAPT

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-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
WO-2019158359-A1 COMPOUNDS THAT MODULATE VON WILLEBRAND FACTOR LEVELS AND THEIR USE IN THE TREATMENT OF BLOOD DISORDERS SOCIETE DES PRODUITS NESTLE S.A. (CH) 2019-08-22 — — WO 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 4632/4885USP2 4388/4885CYP3A4 3823/4885

“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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