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SCHEMBL4101147

SCHEMBL4101147

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 13/20 0.55
▸ PGR P06401 13/20 0.55
▸ NR3C2 P08235 4/20 0.55
▸ CYP19A1 P11511 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ SHBG P04278 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ ESR1 P03372 1/20 0.39

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
SCHEMBL4114157 1.00 AR (0.55) ARPGRNR3C2CYP19A1MEN1
SCHEMBL13333290 0.90 AR (0.55) ARPGRNR3C2CYP19A1MEN1
SCHEMBL13333288 0.90 AR (0.55) ARPGRNR3C2CYP19A1MEN1
SCHEMBL4112739 0.89 AR (0.55) ARPGRNR3C2CYP19A1MEN1
SCHEMBL13372711 0.88 AR (0.55) ARPGRNR3C2CYP19A1MEN1
SCHEMBL4116219 0.88 AR (0.55) ARPGRNR3C2CYP19A1MEN1
SCHEMBL4107639 0.88 AR (0.55) ARPGRNR3C2CYP19A1MEN1
SCHEMBL4215745 0.87 AR (0.57) ARPGRNR3C2CYP19A1LMNA
SCHEMBL4213954 0.87 AR (0.57) ARPGRNR3C2CYP19A1LMNA
SCHEMBL4107737 0.85 AR (0.57) ARPGRNR3C2CYP19A1MEN1

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
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

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.