SCHEMBL13642457

SCHEMBL13642457

COC1O[C@H](C(=O)O)[C@@H](O)[C@H](C)[C@H]1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.36
▸ SUCNR1 Q9BXA5 1/20 0.36
▸ M6PR P20645 2/20 0.35
▸ FGF2 P09038 1/20 0.34
▸ IDUA P35475 1/20 0.33
▸ LGALS8 O00214 2/20 0.33
▸ HPSE Q9Y251 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL18412631 0.89 M6PR (0.38) AKT1SUCNR1M6PRFGF2IDUA
SCHEMBL8267592 0.89 FGF2 (0.37) AKT1SUCNR1M6PRFGF2IDUA
SCHEMBL18372818 0.89 FGF2 (0.37) AKT1SUCNR1M6PRFGF2IDUA
SCHEMBL8267517 0.89 M6PR (0.38) AKT1SUCNR1M6PRFGF2IDUA
SCHEMBL13814803 0.89 FGF2 (0.37) AKT1SUCNR1M6PRFGF2IDUA
SCHEMBL21065667 0.89 M6PR (0.38) AKT1SUCNR1M6PRFGF2IDUA
SCHEMBL24694355 0.82 FGF2 (0.43) AKT1SUCNR1M6PRFGF2IDUA
SCHEMBL6123480 0.81 M6PR (0.36) SUCNR1M6PRFGF2LGALS8
SCHEMBL12703785 0.81 M6PR (0.36) SUCNR1M6PRFGF2LGALS8
SCHEMBL21540433 0.81 M6PR (0.41) AKT1SUCNR1M6PRFGF2LGALS8

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-20120282331-A1 MAMMALIAN METABOLITES OF STEROIDS TOKAI PHARMACEUTICALS, INC. (US) 2012-11-08 — — 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-20120282331-A1 MAMMALIAN METABOLITES OF STEROIDS NR5A1, CYP11B2, CYP11B1 AKT1 2232/4885SUCNR1 105/4885M6PR 2253/4885

“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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