SCHEMBL4211987

SCHEMBL4211987

C=C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](C#N)CC[C@H]3[C@@H]21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.58
NR3C2 P08235 3/20 0.58
PGR P06401 11/20 0.55
SERPINA6 P08185 2/20 0.44
SLC22A1 O15245 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SHBG P04278 1/20 0.44
THRB P10828 1/20 0.44
CYP19A1 P11511 2/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4215694 1.00 AR (0.58) ARNR3C2PGRSERPINA6SLC22A1
SCHEMBL13334513 0.90 AR (0.58) ARNR3C2PGRSERPINA6SLC22A1
SCHEMBL4107737 0.85 AR (0.57) ARNR3C2PGRSHBGCYP19A1
SCHEMBL4112702 0.85 AR (0.57) ARNR3C2PGRSHBGCYP19A1
SCHEMBL13770461 0.85 AR (0.59) ARNR3C2PGRSERPINA6SLC22A1
SCHEMBL4217236 0.85 AR (0.71) ARNR3C2PGRSERPINA6SLC22A1
SCHEMBL10089120 0.85 AR (0.71) ARNR3C2PGRSERPINA6SLC22A1
SCHEMBL13474763 0.85 AR (0.71) ARNR3C2PGRSERPINA6SLC22A1
SCHEMBL4214337 0.85 AR (0.71) ARNR3C2PGRSERPINA6SLC22A1
SCHEMBL13397510 0.85 AR (0.59) ARNR3C2PGRSERPINA6SLC22A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170925-B1 17ß -CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 EP claimed
US-20090048217-A1 17Beta-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-02-19 US claimed
EP-2170925-B1 17ß -CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 EP disclosed
US-8207150-B2 17β-cyano-19-nor-androst-4-ene derivative, its use and medicaments comprising the derivative Bayer Pharma AG (DE) 2012-06-26 US disclosed
US-8207150-B2 17β-cyano-19-nor-androst-4-ene derivative, its use and medicaments comprising the derivative Bayer Pharma AG (DE) 2012-06-26 US disclosed
US-8207150-B2 17β-cyano-19-nor-androst-4-ene derivative, its use and medicaments comprising the derivative Bayer Pharma AG (DE) 2012-06-26 US disclosed
US-20090048217-A1 17Beta-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-02-19 US disclosed
US-20090048217-A1 17Beta-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-02-19 US disclosed
US-20090048217-A1 17Beta-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-02-19 US disclosed
WO-2008151746-A2 17β-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO 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-20090048217-A1 17Beta-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE HSD17B11, HSD17B7, NR5A1 AR 109/4885NR3C2 15/4885PGR 87/4885

“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.