SCHEMBL12924009

SCHEMBL12924009

C=C1CC2C(CC[C@@]3(CC)C2CC[C@@]32C=CC(=O)O2)[C@H]2CCC(=N)C=C12

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 20/20 0.60
▸ AR P10275 20/20 0.60
▸ NR3C2 P08235 3/20 0.43

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
SCHEMBL12923986 0.91 AR (0.70) PGRARNR3C2
SCHEMBL16404187 0.87 PGR (0.57) PGRARNR3C2
SCHEMBL12923970 0.86 AR (0.56) PGRARNR3C2
SCHEMBL16715984 0.83 AR (0.58) PGRARNR3C2
SCHEMBL12923998 0.83 PGR (0.82) PGRARNR3C2
SCHEMBL12924013 0.81 AR (0.83) PGRARNR3C2
SCHEMBL12924001 0.79 AR (0.83) PGRARNR3C2
SCHEMBL12924010 0.79 AR (0.84) PGRARNR3C2
SCHEMBL12924003 0.79 AR (0.85) PGRARNR3C2
SCHEMBL12924004 0.78 AR (0.83) PGRARNR3C2

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-8937058-B2 17-hydroxy-19-nor-21-carboxylic acid-steroid γ-lactone derivative, use thereof, and medicament containing the derivative BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-20 — — US disclosed
US-20110021472-A1 17-HYDROXY-19-NOR-21-CARBOXYLIC ACID-STEROID Y-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING THE DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2011-01-27 — — 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-20110021472-A1 17-HYDROXY-19-NOR-21-CARBOXYLIC ACID-STEROID Y-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING THE DERIVATIVE CYP17A1, NR5A1, CYP19A1 PGR 29/4885AR 39/4885NR3C2 17/4885

“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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