SCHEMBL4102313

SCHEMBL4102313

CC[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@H]43)[C@@H]1[C@@H]1C[C@@H]1[C@]2(C)C#N

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 16/20 0.54
▸ PGR P06401 15/20 0.54
▸ NR3C2 P08235 4/20 0.54
▸ LMNA P02545 3/20 0.38
▸ SLC6A4 P31645 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ESR1 P03372 2/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ SHBG P04278 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ OPRM1 P35372 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
SCHEMBL4107410 0.89 AR (0.54) ARPGRNR3C2LMNASLC6A4
SCHEMBL4223212 0.86 AR (0.52) ARPGRNR3C2LMNASLC6A4
SCHEMBL4213501 0.83 AR (0.49) ARPGRNR3C2LMNASLC6A4
SCHEMBL4107108 0.81 AR (0.64) ARPGRNR3C2LMNASLC6A4
SCHEMBL13556643 0.80 AR (0.58) ARPGRNR3C2LMNANR3C1
SCHEMBL12942959 0.80 AR (0.58) ARPGRNR3C2LMNANR3C1
SCHEMBL13767673 0.80 AR (0.58) ARPGRNR3C2LMNANR3C1
SCHEMBL13557260 0.80 AR (0.51) ARPGRNR3C2LMNASLC6A4
SCHEMBL13557258 0.80 AR (0.51) ARPGRNR3C2LMNASLC6A4
SCHEMBL12942781 0.79 AR (0.57) ARPGRNR3C2

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 6 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
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 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
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

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 AR 106/4885PGR 91/4885NR3C2 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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