SCHEMBL12949518

SCHEMBL12949518

C[C@]12CCC3C(CC4(CC4)C4=CC(=O)CC[C@@H]43)C1CC[C@@]21CCC(=O)O1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.66
▸ AR P10275 6/20 0.66
▸ NR3C1 P04150 2/20 0.50
▸ CHRM2 P08172 2/20 0.50
▸ OPRK1 P41145 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HSD17B2 P37059 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NR3C2 P08235 2/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ADRA1A P35348 1/20 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
SCHEMBL13062432 0.86 PGR (0.62) PGRARNR3C1CYP3A4NR3C2
SCHEMBL12949826 0.85 AR (0.67) PGRARNR3C1CYP3A4MEN1
SCHEMBL13768846 0.84 PGR (0.62) PGRARNR3C1CHRM2OPRK1
SCHEMBL8011421 0.84 PGR (0.62) PGRARNR3C1CHRM2OPRK1
SCHEMBL13474765 0.81 PGR (0.66) PGRARNR3C1CHRM2CYP3A4
SCHEMBL12924059 0.79 PGR (1.00) PGRARNR3C2
SCHEMBL12923954 0.79 PGR (1.00) PGRARNR3C2
SCHEMBL12998963 0.78 PGR (1.00) PGRARNR3C1CHRM2NR3C2
SCHEMBL12943046 0.78 PGR (1.00) PGRARNR3C1CHRM2NR3C2
SCHEMBL13768601 0.78 PGR (1.00) PGRARNR3C1CHRM2NR3C2

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-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 39/4885NR3C1 53/4885

“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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