SCHEMBL13013652

SCHEMBL13013652

CC[C@]12CCC3C(CC(CO)C4=CC(=NO)CC[C@@H]43)C1CC[C@@]21C=CCO1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 18/20 0.79
▸ PGR P06401 18/20 0.79
▸ NR3C2 P08235 9/20 0.79
▸ NR1I2 O75469 2/20 0.43
▸ NR3C1 P04150 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ AGTR1 P30556 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ PDE4D Q08499 1/20 0.41

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
SCHEMBL13013754 0.88 AR (1.00) ARPGRNR3C2
SCHEMBL13013621 0.88 AR (1.00) ARPGRNR3C2
SCHEMBL13013837 0.88 AR (1.00) ARPGRNR3C2
SCHEMBL13013595 0.88 AR (0.60) ARPGRNR3C2
SCHEMBL16715968 0.88 AR (0.82) ARPGRNR3C2
SCHEMBL16404186 0.84 PGR (0.81) ARPGRNR3C2NR1I2NR3C1
SCHEMBL13013658 0.84 AR (0.57) ARPGRNR3C2NR1I2NR3C1
SCHEMBL12904852 0.83 PGR (0.55) ARPGRNR3C2NR1I2NR3C1
SCHEMBL13013637 0.83 PGR (0.75) ARPGRNR3C2NR1I2NR3C1
SCHEMBL13013654 0.80 AR (0.58) ARPGRNR3C2NR1I2NR3C1

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-9034856-B2 17-(1′propenyl)-17-3′-oxidoestra-4-en-3-one derivative, use thereof, and medicament containing said derivative BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-19 — — US disclosed
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 AR 44/4885PGR 8/4885NR3C2 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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