SCHEMBL10089005

SCHEMBL10089005

C[C@]12CCC3C4CCC(=O)C=C4[C@H](CO)CC3C1CC[C@@H]2C#N

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.55
AR P10275 5/20 0.55
NR3C2 P08235 1/20 0.54
CYP19A1 P11511 3/20 0.51
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
SRD5A2 P31213 1/20 0.41
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
SCHEMBL4210662 1.00 PGR (0.55) PGRARNR3C2CYP19A1SERPINA6
SCHEMBL4207162 0.91 CYP19A1 (0.52) PGRARNR3C2CYP19A1SERPINA6
SCHEMBL10089016 0.91 CYP19A1 (0.52) PGRARNR3C2CYP19A1SERPINA6
SCHEMBL14009969 0.90 CYP19A1 (0.56) PGRARNR3C2CYP19A1SERPINA6
SCHEMBL4113171 0.86 PGR (0.57) PGRARNR3C2CYP19A1SERPINA6
SCHEMBL14009902 0.85 SERPINA6 (0.45) PGRARNR3C2CYP19A1SERPINA6
SCHEMBL14009903 0.84 PGR (0.57) PGRARNR3C2CYP19A1SERPINA6
SCHEMBL4213899 0.82 PGR (0.55) PGRARNR3C2CYP19A1SERPINA6
SCHEMBL4210321 0.80 PGR (0.65) PGRARNR3C2CYP19A1ALDH1A1
SCHEMBL10089006 0.79 AR (0.49) PGRARNR3C2CYP19A1SERPINA6

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
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 109/4885NR3C2 15/4885

“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.