SCHEMBL4209999

SCHEMBL4209999

CCC1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2[C@@H]2C[C@@H]2[C@@H]3C#N)[C@H]2CCC(=O)C=C12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.47
PGR P06401 7/20 0.44
AR P10275 6/20 0.44
NR3C2 P08235 1/20 0.40
SERPINA6 P08185 2/20 0.36
SLC22A1 O15245 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SHBG P04278 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL4213899 0.91 PGR (0.55) CYP19A1PGRARNR3C2SERPINA6
SCHEMBL13925593 0.87 CYP19A1 (0.44) CYP19A1PGRARNR3C2SHBG
SCHEMBL4213124 0.81 CYP19A1 (0.39) CYP19A1PGRARNR3C2ALDH1A1
SCHEMBL4207162 0.81 CYP19A1 (0.52) CYP19A1PGRARNR3C2SERPINA6
SCHEMBL10089016 0.81 CYP19A1 (0.52) CYP19A1PGRARNR3C2SERPINA6
SCHEMBL4213465 0.81 AR (0.51) CYP19A1PGRARSERPINA6SLC22A1
SCHEMBL4218194 0.81 AR (0.51) CYP19A1PGRARSERPINA6SLC22A1
SCHEMBL4214316 0.81 ALDH1A1 (0.54) CYP19A1PGRARNR3C2SERPINA6
SCHEMBL4224697 0.81 ALDH1A1 (0.54) CYP19A1PGRARNR3C2SERPINA6
SCHEMBL13925594 0.79 PGR (0.51) CYP19A1PGRARNR3C2SERPINA6

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 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-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 CYP19A1 14/4885PGR 87/4885AR 109/4885

“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.