SCHEMBL12904993

SCHEMBL12904993

C[C@]12CC[C@H]3[C@H]([C@@H]1[C@H]1C[C@H]1[C@@]21C=CCO1)[C@H](C1CC1)CC1=CC(=O)CC[C@@H]13

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 19/20 0.66
▸ PGR P06401 18/20 0.66
▸ NR3C2 P08235 7/20 0.54

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
SCHEMBL12904790 1.00 AR (0.66) ARPGRNR3C2
SCHEMBL12904951 1.00 AR (0.66) ARPGRNR3C2
SCHEMBL15417402 0.90 AR (0.53) ARPGRNR3C2
SCHEMBL12904785 0.89 AR (0.66) ARPGRNR3C2
SCHEMBL12904945 0.89 AR (0.66) ARPGRNR3C2
SCHEMBL12904983 0.89 AR (0.66) ARPGRNR3C2
SCHEMBL12904804 0.87 AR (0.51) ARPGRNR3C2
SCHEMBL12904946 0.87 AR (0.67) ARPGRNR3C2
SCHEMBL12904987 0.87 AR (0.67) ARPGRNR3C2
SCHEMBL12904788 0.87 AR (0.67) ARPGRNR3C2

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-8623850-B2 15, 16-methylene-17-(1′-propenyl)-17,3′-oxidoestra-4-en-3-one derivative, use thereof, and medicament containing said derivative BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-07 — — US disclosed
US-20110003779-A1 15, 16-METHYLENE-17-(1'-PROPENYL)-17,3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE , USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-01-06 — — 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-20110003779-A1 15, 16-METHYLENE-17-(1'-PROPENYL)-17,3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE , USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE CYP19A1, NR5A1, SRD5A1 AR 19/4885PGR 9/4885NR3C2 18/4885

“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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