SCHEMBL10089113

SCHEMBL10089113

C[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@@H]2N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.48
▸ PGR P06401 8/20 0.48
▸ NR3C2 P08235 2/20 0.48
▸ SERPINA6 P08185 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ SHBG P04278 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ CYP19A1 P11511 6/20 0.33
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ TBXA2R P21731 1/20 0.31
▸ ADRA1A P35348 1/20 0.31

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
SCHEMBL4213846 0.84 AR (0.46) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL13474816 0.79 AR (0.55) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL10089125 0.76 AR (0.55) ARPGRNR3C2CYP19A1CYP3A4
SCHEMBL13768993 0.76 AR (0.40) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL13372753 0.76 AR (0.49) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL12638972 0.75 AR (0.56) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL2832958 0.74 SHBG (0.59) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL30140884 0.74 SHBG (0.59) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL7703808 0.74 SHBG (0.59) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL10089116 0.74 AR (0.53) ARPGRSERPINA6ALDH1A1SLC22A1

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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