SCHEMBL21291505

SCHEMBL21291505

CC(C)C1=C(O)C(=O)C2=C(C(=O)C[C@H]3C(C)(C)CCC[C@]23C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ FDPS P14324 8/20 0.39
▸ GGPS1 O95749 5/20 0.36
▸ CYP19A1 P11511 3/20 0.34
▸ USP2 O75604 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SULT1E1 P49888 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ PTGES O14684 1/20 0.32
▸ PNLIP P16233 1/20 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
Royleanone SCHEMBL16006778 0.79 CYP3A4 (0.44) EP300FDPSGGPS1CYP19A1USP2
Royleanone SCHEMBL21291506 0.79 CYP3A4 (0.44) EP300FDPSGGPS1CYP19A1USP2
Horminone SCHEMBL22861860 0.78 CYP19A1 (0.45) EP300FDPSGGPS1CYP19A1USP2
Horminone SCHEMBL22861891 0.78 CYP19A1 (0.45) EP300FDPSGGPS1CYP19A1USP2
SCHEMBL22861899 0.73 EP300 (0.42) EP300FDPSGGPS1CYP19A1
SCHEMBL22861898 0.73 EP300 (0.42) EP300FDPSGGPS1CYP19A1
SCHEMBL30088312 0.72 CYP19A1 (0.45) EP300FDPSGGPS1CYP19A1USP2
SCHEMBL22861892 0.72 FDPS (0.39) EP300FDPSGGPS1CYP19A1CYP3A4
SCHEMBL14303936 0.71 EP300 (0.40) EP300FDPSGGPS1CYP19A1
SCHEMBL22861893 0.70 EP300 (0.41) EP300FDPSGGPS1CYP19A1USP2

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 4632/4885TSHR 4435/4885FDPS 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.

Send feedback