SCHEMBL10089125

SCHEMBL10089125

C[C@]1(N)[C@H]2C[C@H]2[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 14/20 0.55
▸ PGR P06401 13/20 0.55
▸ NR3C2 P08235 2/20 0.55
▸ NR3C1 P04150 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ CYP19A1 P11511 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HIF1A Q16665 1/20 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
SCHEMBL4223212 0.84 AR (0.52) ARPGRNR3C2NR3C1LMNA
SCHEMBL16572779 0.82 AR (0.64) ARPGRNR3C2NR3C1LMNA
SCHEMBL16572791 0.82 AR (0.64) ARPGRNR3C2NR3C1LMNA
SCHEMBL12942953 0.82 AR (0.64) ARPGRNR3C2NR3C1LMNA
SCHEMBL12998952 0.82 AR (0.64) ARPGRNR3C2NR3C1LMNA
SCHEMBL13768472 0.82 AR (0.64) ARPGRNR3C2NR3C1LMNA
SCHEMBL16572808 0.82 AR (0.64) ARPGRNR3C2NR3C1LMNA
SCHEMBL12904908 0.81 AR (0.65) ARPGRNR3C2
SCHEMBL12904942 0.81 AR (0.65) ARPGRNR3C2
SCHEMBL12906893 0.81 AR (0.65) 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 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 87/4885NR3C2 15/4885

“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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