SCHEMBL4212471

SCHEMBL4212471

CC[C@]1(C#N)[C@H]2C[C@H]2[C@H]2[C@@H]3[C@@H]4C[C@@H]4C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 16/20 0.61
▸ AR P10275 16/20 0.61
▸ CYP19A1 P11511 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ NR3C2 P08235 2/20 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
SCHEMBL4212006 1.00 PGR (0.61) PGRARCYP19A1LMNAABCC4
SCHEMBL13333278 0.88 PGR (0.52) PGRARCYP19A1LMNAABCB11
SCHEMBL13925592 0.88 PGR (0.52) PGRARCYP19A1LMNAABCB11
SCHEMBL4210006 0.86 PGR (0.66) PGRARCYP19A1LMNAABCC4
SCHEMBL4208684 0.86 PGR (0.66) PGRARCYP19A1LMNAABCC4
SCHEMBL4209998 0.85 AR (0.62) PGRARLMNAABCB11NR3C2
SCHEMBL4212547 0.85 AR (0.62) PGRARLMNAABCB11NR3C2
SCHEMBL10089126 0.83 AR (0.62) PGRARLMNAABCB11NR3C2
SCHEMBL4217361 0.83 AR (0.62) PGRARLMNAABCB11NR3C2
SCHEMBL4215376 0.83 AR (0.62) PGRARLMNAABCB11NR3C2

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 109/4885CYP19A1 14/4885

“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.

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