SCHEMBL13013553

SCHEMBL13013553

C=C1CC2C(CC[C@@]3(C)C2CC[C@@]32C=CCO2)[C@H]2CCC(=O)C=C12

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 19/20 0.68
▸ PGR P06401 17/20 0.68
▸ NR3C2 P08235 11/20 0.68
▸ CYP19A1 P11511 1/20 0.45

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
SCHEMBL16715970 0.89 AR (0.56) ARPGRNR3C2
SCHEMBL13013594 0.86 AR (0.53) ARPGRNR3C2
SCHEMBL13013618 0.85 AR (0.69) ARPGRNR3C2
SCHEMBL12923951 0.85 PGR (0.65) ARPGRNR3C2CYP19A1
SCHEMBL13013795 0.81 AR (1.00) ARPGRNR3C2CYP19A1
SCHEMBL13013539 0.81 AR (1.00) ARPGRNR3C2CYP19A1
SCHEMBL13062177 0.80 CYP19A1 (0.47) ARPGRNR3C2CYP19A1
SCHEMBL13770459 0.80 CYP19A1 (0.47) ARPGRNR3C2CYP19A1
SCHEMBL12904792 0.79 AR (0.45) ARPGRNR3C2CYP19A1
SCHEMBL12949821 0.78 PGR (0.49) ARPGRNR3C2CYP19A1

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 3 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-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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