SCHEMBL13062175

SCHEMBL13062175

CC[C@]12CCC3C(CCC4=CC(=N)CC[C@@H]43)C1CC[C@@]21CCCO1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.50
▸ AR P10275 8/20 0.50
▸ NR3C2 P08235 3/20 0.50
▸ SLC6A4 P31645 5/20 0.46
▸ LMNA P02545 3/20 0.46
▸ ESR1 P03372 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NR3C1 P04150 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ SHBG P04278 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ NR1I2 O75469 2/20 0.45
▸ SLC6A2 P23975 2/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42

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
SCHEMBL13062191 0.88 PGR (0.66) PGRARNR3C2SLC6A4LMNA
SCHEMBL13062173 0.85 PGR (0.49) PGRARNR3C2SLC6A4LMNA
SCHEMBL13062199 0.85 AR (0.52) PGRARNR3C2MEN1CYP3A4
SCHEMBL13062184 0.84 AR (0.53) PGRARNR3C2SLC6A4LMNA
SCHEMBL13062496 0.84 PGR (0.47) PGRARNR3C2SLC6A4LMNA
SCHEMBL13062499 0.82 AR (0.56) PGRARNR3C2SLC6A4LMNA
SCHEMBL13062439 0.82 PGR (0.35) PGRARNR3C2SLC6A4LMNA
SCHEMBL13062448 0.82 PGR (0.41) PGRARNR3C2SLC6A4LMNA
SCHEMBL13062450 0.81 AR (0.52) PGRARNR3C2MEN1CYP3A4
SCHEMBL13770167 0.79 PGR (0.55) PGRARNR3C2SLC6A4LMNA

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 44/4885NR3C2 11/4885

“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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