SCHEMBL4213506

SCHEMBL4213506

CC[C@]1(C#N)[C@H]2C[C@H]2[C@H]2[C@@H]3C[C@@H](CO)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 12/20 0.65
▸ AR P10275 10/20 0.65
▸ NR3C2 P08235 1/20 0.50
▸ CYP19A1 P11511 2/20 0.45
▸ LMNA P02545 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ ABCB11 O95342 2/20 0.36
▸ NR3C1 P04150 2/20 0.36
▸ SHBG P04278 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 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
SCHEMBL4214248 0.88 PGR (0.68) PGRARNR3C2CYP19A1LMNA
SCHEMBL10089124 0.84 PGR (0.70) PGRARNR3C2CYP19A1LMNA
SCHEMBL4212006 0.82 PGR (0.61) PGRARNR3C2CYP19A1LMNA
SCHEMBL4212471 0.82 PGR (0.61) PGRARNR3C2CYP19A1LMNA
SCHEMBL4208944 0.82 PGR (0.60) PGRARNR3C2CYP19A1LMNA
SCHEMBL4210321 0.80 PGR (0.65) PGRARNR3C2CYP19A1LMNA
SCHEMBL4208485 0.79 PGR (0.62) PGRARNR3C2LMNACYP3A4
SCHEMBL13768841 0.79 PGR (0.66) PGRARNR3C2CYP19A1LMNA
SCHEMBL12998959 0.79 PGR (1.00) PGRARNR3C2CYP19A1LMNA
SCHEMBL16572801 0.79 PGR (1.00) PGRARNR3C2CYP19A1LMNA

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 9 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
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
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 PGR 87/4885AR 109/4885NR3C2 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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