SCHEMBL4210002

SCHEMBL4210002

C[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@@H]43)[C@@H]1[C@@H]1C[C@@H]1[C@@H]2C#N

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.52
AR P10275 5/20 0.52
SERPINA6 P08185 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SHBG P04278 2/20 0.39
SLC22A1 O15245 1/20 0.39
THRB P10828 1/20 0.39
CYP19A1 P11511 5/20 0.36
LMNA P02545 2/20 0.34
CYP3A4 P08684 2/20 0.34
ABCB11 O95342 2/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
ESR1 P03372 1/20 0.34
NR3C1 P04150 1/20 0.34
ADRA2A P08913 1/20 0.34
SLC6A4 P31645 1/20 0.34
MCL1 Q07820 1/20 0.32

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
SCHEMBL13333280 0.85 PGR (0.47) PGRARSERPINA6ALDH1A1SHBG
SCHEMBL13769381 0.84 AR (0.55) PGRARSERPINA6ALDH1A1SHBG
SCHEMBL4224697 0.84 ALDH1A1 (0.54) PGRARSERPINA6ALDH1A1SHBG
SCHEMBL10089117 0.84 PGR (0.54) PGRARSERPINA6ALDH1A1SHBG
SCHEMBL4214316 0.84 ALDH1A1 (0.54) PGRARSERPINA6ALDH1A1SHBG
SCHEMBL10089004 0.78 AR (0.52) PGRARSERPINA6ALDH1A1SHBG
SCHEMBL4207166 0.78 AR (0.52) PGRARSERPINA6ALDH1A1SHBG
SCHEMBL4209999 0.78 CYP19A1 (0.47) PGRARSERPINA6ALDH1A1SHBG
SCHEMBL4213899 0.77 PGR (0.55) PGRARSERPINA6ALDH1A1SHBG
SCHEMBL4208451 0.77 ALDH1A1 (0.56) PGRARSERPINA6ALDH1A1SHBG

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 7 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-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

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 PGR 87/4885AR 109/4885SERPINA6 860/4885

“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.