SCHEMBL922951

SCHEMBL922951

COC1=CC2=CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3[C@@H]3C[C@@H]3[C@@]4(O)/C=C\CO)[C@H]2CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 5/20 0.35
▸ AR P10275 5/20 0.35
▸ SRD5A2 P31213 2/20 0.35

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
SCHEMBL13797601 1.00 PGR (0.35) PGRARSRD5A2
SCHEMBL13797695 1.00 PGR (0.35) PGRARSRD5A2
SCHEMBL12904888 1.00 PGR (0.35) PGRARSRD5A2
SCHEMBL13797490 0.88 PGR (0.33) PGRARSRD5A2
SCHEMBL12904867 0.88 PGR (0.33) PGRARSRD5A2
SCHEMBL923704 0.86 SRD5A2 (0.40) PGRARSRD5A2
SCHEMBL924023 0.86 SRD5A2 (0.40) PGRARSRD5A2
SCHEMBL13372589 0.85 SRD5A2 (0.41) PGRARSRD5A2
SCHEMBL13372633 0.85 SRD5A2 (0.41) PGRARSRD5A2
SCHEMBL924928 0.80 PGR (0.35) PGRARSRD5A2

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 5 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
EP-2238150-B1 15,16-METHYLENE-17-HYDROXY-19-NOR-21-CARBOXYLIC ACID y-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 — — EP disclosed
EP-2238148-B1 15,16-METHYLENE-17-(1'-PROPENYL)-17,3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 — — EP disclosed
US-20110015162-A1 15,16-Methylene-17-hydroxy-19-nor-21-carboxylic acid-steroid Y-lactone derivative, use thereof and medicinal products containing the derivative BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 — — 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 (2 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 PGR 9/4885AR 19/4885SRD5A2 7/4885
US-20110015162-A1 15,16-Methylene-17-hydroxy-19-nor-21-carboxylic acid-steroid Y-lactone derivative, use thereof and medicinal products containing the derivative CYP17A1, CYP19A1, HSD17B7 PGR 29/4885AR 48/4885SRD5A2 12/4885

“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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