Sugi Predict

Sugi Predict / Compounds / SCHEMBL10089012

SCHEMBL10089012

SCHEMBL10089012

C[C@]12CCC3C4CCC(=O)C=C4C=CC3C1CC[C@@H]2C#N

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.55
▸ PGR P06401 5/20 0.55
▸ NR3C2 P08235 2/20 0.55
▸ SERPINA6 P08185 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SLC22A1 O15245 1/20 0.40
▸ SHBG P04278 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ CYP19A1 P11511 4/20 0.35
▸ CYP17A1 P05093 1/20 0.34
▸ NR3C1 P04150 1/20 0.33
▸ PDE4D Q08499 1/20 0.33

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
SCHEMBL4212652 1.00 AR (0.55) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL13474801 0.89 AR (0.55) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL4108635 0.84 AR (0.55) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL12638972 0.84 AR (0.56) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL13474816 0.83 AR (0.55) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL30140884 0.83 SHBG (0.59) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL7703808 0.83 SHBG (0.59) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL2832958 0.83 SHBG (0.59) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL23383533 0.82 SERPINA6 (0.61) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL1650166 0.82 SERPINA6 (0.61) ARPGRNR3C2SERPINA6ALDH1A1

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 5 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-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
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
WO-2008151746-A2 17β-CYANO-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-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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