SCHEMBL4116382

SCHEMBL4116382

CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(CC)[C@@H]([C@@H]4C[C@@H]4[C@@]3(C#N)CC)[C@H]12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 17/20 0.56
▸ AR P10275 16/20 0.56
▸ NR3C2 P08235 4/20 0.54
▸ MEN1 O00255 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ NR3C1 P04150 1/20 0.43
▸ SHBG P04278 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ ESR1 P03372 1/20 0.43

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
SCHEMBL4100268 1.00 PGR (0.56) PGRARNR3C2MEN1CYP3A4
SCHEMBL4119198 0.90 AR (0.54) PGRARNR3C2MEN1CYP3A4
SCHEMBL4107187 0.90 AR (0.54) PGRARNR3C2MEN1CYP3A4
SCHEMBL4102328 0.89 PGR (0.58) PGRARNR3C2MEN1CYP3A4
SCHEMBL4102500 0.89 PGR (0.54) PGRARNR3C2MEN1CYP3A4
SCHEMBL4107680 0.89 PGR (0.54) PGRARNR3C2MEN1CYP3A4
SCHEMBL4208687 0.89 AR (0.66) PGRARNR3C2
SCHEMBL4210756 0.89 AR (0.66) PGRARNR3C2
SCHEMBL4110042 0.89 PGR (0.58) PGRARNR3C2MEN1CYP3A4
SCHEMBL4101621 0.88 AR (0.56) PGRARNR3C2MEN1CYP3A4

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-2178899-B1 17BETA-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 — — EP claimed
EP-2178899-B1 17BETA-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 — — EP disclosed
WO-2010066354-A1 USE OF 17β-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVES FOR MANUFACTURING A MEDICAMENT IN A SUSTAINED-RELEASE FORM FOR PARENTERAL USE, AND SUSTAINED-RELEASE MEDICAMENT CONTAINING 17β-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVES FOR PARENTERAL USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 — — WO disclosed
US-20090048218-A1 17Beta-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-02-19 — — US disclosed
US-20090048218-A1 17Beta-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-02-19 — — US disclosed
US-20090048218-A1 17Beta-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-02-19 — — US disclosed
WO-2008151745-A1 17BETA-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 — — WO 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-20090048218-A1 17Beta-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE HSD17B7, HSD17B11, CYP17A1 PGR 91/4885AR 106/4885NR3C2 13/4885

“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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