SCHEMBL10089006

SCHEMBL10089006

C[C@]12CCC3C4CCC(=O)C=C4C4CC4C3C1CC[C@@H]2C#N

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.49
PGR P06401 3/20 0.49
SRD5A2 P31213 1/20 0.41
SERPINA6 P08185 2/20 0.40
CYP19A1 P11511 4/20 0.40
SLC22A1 O15245 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SHBG P04278 1/20 0.40
THRB P10828 1/20 0.40
NR3C2 P08235 2/20 0.35

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
SCHEMBL4217242 1.00 AR (0.49) ARPGRSRD5A2SERPINA6CYP19A1
SCHEMBL4208956 1.00 AR (0.49) ARPGRSRD5A2SERPINA6CYP19A1
SCHEMBL4107412 0.84 AR (0.45) ARPGRCYP19A1SHBGNR3C2
SCHEMBL4101159 0.84 AR (0.45) ARPGRCYP19A1SHBGNR3C2
SCHEMBL13474785 0.84 AR (0.53) ARPGRSERPINA6CYP19A1SLC22A1
SCHEMBL14009902 0.82 SERPINA6 (0.45) ARPGRSRD5A2SERPINA6CYP19A1
SCHEMBL4210652 0.81 AR (0.54) ARPGRSERPINA6CYP19A1SLC22A1
SCHEMBL4213311 0.81 AR (0.54) ARPGRSERPINA6CYP19A1SLC22A1
SCHEMBL4217236 0.80 AR (0.71) ARPGRSERPINA6CYP19A1SLC22A1
SCHEMBL4214337 0.80 AR (0.71) ARPGRSERPINA6CYP19A1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AR 109/4885PGR 87/4885SRD5A2 12/4885

“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.