SCHEMBL4211929

SCHEMBL4211929

CCC1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(C)C#N)[C@H]2CCC(=O)C=C12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.53
AR P10275 7/20 0.53
CYP19A1 P11511 6/20 0.52
NR3C2 P08235 2/20 0.46
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.41
ABCB11 O95342 2/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ESR1 P03372 1/20 0.41
NR3C1 P04150 1/20 0.41
SHBG P04278 1/20 0.41
ADRA2A P08913 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL4210321 0.91 PGR (0.65) PGRARCYP19A1NR3C2LMNA
SCHEMBL13334668 0.86 PGR (0.46) PGRARCYP19A1NR3C2LMNA
SCHEMBL4216404 0.80 AR (0.54) PGRARCYP19A1NR3C2LMNA
SCHEMBL4217137 0.80 AR (0.54) PGRARCYP19A1NR3C2LMNA
SCHEMBL4220037 0.80 AR (0.54) PGRARCYP19A1NR3C2LMNA
SCHEMBL10089016 0.79 CYP19A1 (0.52) PGRARCYP19A1NR3C2LMNA
SCHEMBL4207162 0.79 CYP19A1 (0.52) PGRARCYP19A1NR3C2LMNA
SCHEMBL4213469 0.78 PGR (0.65) PGRARCYP19A1NR3C2LMNA
SCHEMBL3754967 0.78 CYP19A1 (0.67) CYP19A1
SCHEMBL4102539 0.76 CYP19A1 (0.48) PGRARCYP19A1NR3C2LMNA

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
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 claimed
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 claimed
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-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 PGR 87/4885AR 109/4885CYP19A1 14/4885

“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.