SCHEMBL12924032

SCHEMBL12924032

CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21C=CC(=O)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 17/20 1.00
▸ AR P10275 17/20 1.00
▸ NR3C2 P08235 3/20 0.73
▸ MEN1 O00255 2/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ SLC6A4 P31645 2/20 0.60
▸ NR3C1 P04150 1/20 0.60
▸ SHBG P04278 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ ABCB11 O95342 1/20 0.60
▸ ESR1 P03372 1/20 0.60

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
SCHEMBL12923980 1.00 PGR (1.00) PGRARNR3C2MEN1CYP3A4
SCHEMBL12923998 0.90 PGR (0.82) PGRARNR3C2MEN1CYP3A4
SCHEMBL16404180 0.88 PGR (0.78) PGRARNR3C2MEN1CYP3A4
SCHEMBL12924036 0.85 PGR (1.00) PGRARNR3C2
SCHEMBL12923989 0.85 AR (1.00) PGRARNR3C2
SCHEMBL12924053 0.85 AR (1.00) PGRARNR3C2
SCHEMBL12923977 0.85 PGR (1.00) PGRARNR3C2
SCHEMBL13013817 0.84 AR (1.00) PGRARNR3C2MEN1CYP3A4
SCHEMBL13013610 0.84 AR (1.00) PGRARNR3C2MEN1CYP3A4
SCHEMBL12924042 0.84 PGR (1.00) 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 4 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-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
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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