SCHEMBL10089007

SCHEMBL10089007

C[C@]12CCC3C4CCC(=O)C=C4CCC3C1CC[C@@H]2C#N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
SERPINA6 P08185 2/20 0.69
SHBG P04278 2/20 0.69
SLC22A1 O15245 1/20 0.69
THRB P10828 1/20 0.69
CYP19A1 P11511 2/20 0.59
HIF1A Q16665 2/20 0.54
MCL1 Q07820 1/20 0.54
CYP1A2 P05177 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PGR P06401 4/20 0.54
LMNA P02545 3/20 0.54
ABCB11 O95342 3/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
NR3C1 P04150 2/20 0.54
TSHR P16473 1/20 0.54
ESR1 P03372 1/20 0.54
ADRA2A P08913 1/20 0.54
SLC6A4 P31645 1/20 0.54

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
SCHEMBL3744048 1.00 ALDH1A1 (0.69) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL4210003 1.00 ALDH1A1 (0.69) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL24476230 0.88 ALDH1A1 (0.69) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL3719327 0.88 ALDH1A1 (0.69) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL19219845 0.88 ALDH1A1 (0.69) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL28411666 0.88 ALDH1A1 (0.69) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL4207166 0.83 AR (0.52) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL11144395 0.83 ALDH1A1 (0.65) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL4108527 0.83 PGR (0.53) ALDH1A1SERPINA6SHBGSLC22A1THRB
SCHEMBL4214337 0.83 AR (0.71) ALDH1A1SERPINA6SHBGSLC22A1THRB

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-2170925-B1 17ß -CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 EP 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-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
WO-2010066355-A1 USE OF 17β-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVES FOR MANUFACTURING A MEDICAMENT IN A SUSTAINED-RELEASE FORM FOR PARENTERAL USE, AND SUSTAINED-RELEASE MEDICAMENT CONTAINING 17β-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVES FOR PARENTERAL USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 WO 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

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 ALDH1A1 678/4885SERPINA6 860/4885SHBG 31/4885

“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.