SCHEMBL13062168

SCHEMBL13062168

C[C@]12CCC3C(CC(O)C4=CC(=N)CC[C@@H]43)C1CC[C@@]21CCCO1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.36
▸ AR P10275 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ AKR1C3 P42330 3/20 0.33
▸ HSD17B2 P37059 1/20 0.33

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
SCHEMBL13062448 0.85 PGR (0.41) PGRARMEN1KMT2A
SCHEMBL12949728 0.85 SMN1; SMN2 (0.48) PGRARMEN1KMT2AAKR1C3
SCHEMBL13062496 0.81 PGR (0.47) PGRAR
SCHEMBL13062447 0.80 AR (0.37) PGRARMEN1KMT2A
SCHEMBL13062180 0.78 PGR (0.47) PGRARMEN1KMT2AAKR1C3
SCHEMBL13062171 0.78 MEN1 (0.37) PGRARMEN1KMT2AAKR1C3
SCHEMBL13062174 0.75 PGR (0.64) PGRAR
SCHEMBL13062178 0.75 PGR (0.64) PGRAR
SCHEMBL13770456 0.75 PGR (0.64) PGRAR
SCHEMBL13062170 0.74 AR (0.50) PGRARMEN1KMT2A

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-20100317632-A1 17-(1'PROPENYL)-17-3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-12-16 — — 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-20100317632-A1 17-(1'PROPENYL)-17-3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE NR5A1, CYP19A1, CYP17A1 PGR 8/4885AR 44/4885MEN1 618/4885

“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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