SCHEMBL4108635

SCHEMBL4108635

CC[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 10/20 0.55
▸ NR3C2 P08235 4/20 0.55
▸ PGR P06401 9/20 0.52
▸ LMNA P02545 4/20 0.34
▸ SLC6A4 P31645 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ESR1 P03372 2/20 0.34
▸ SHBG P04278 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ CYP19A1 P11511 2/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ SERPINA6 P08185 2/20 0.32
▸ SLC22A1 O15245 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ THRB P10828 1/20 0.32

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 0.84 AR (0.55) ARNR3C2PGRCYP3A4SHBG
SCHEMBL6841943 0.84 AR (0.55) ARNR3C2PGRLMNASLC6A4
SCHEMBL6841944 0.84 AR (0.55) ARNR3C2PGRLMNASLC6A4
SCHEMBL10089012 0.84 AR (0.55) ARNR3C2PGRCYP3A4SHBG
SCHEMBL6692321 0.81 AR (0.52) ARNR3C2PGRLMNACYP3A4
SCHEMBL11862137 0.81 AR (0.52) ARNR3C2PGRLMNACYP3A4
SCHEMBL13473575 0.80 AR (0.46) ARNR3C2PGRLMNASLC6A4
SCHEMBL4106357 0.80 AR (0.46) ARNR3C2PGRLMNASLC6A4
SCHEMBL4107108 0.78 AR (0.64) ARNR3C2PGRLMNASLC6A4
SCHEMBL4108527 0.78 PGR (0.53) ARNR3C2PGRLMNASLC6A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178899-B1 17BETA-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 — — EP claimed
US-20090048218-A1 17Beta-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-02-19 — — US claimed
EP-2178899-B1 17BETA-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 — — EP disclosed
US-20090048218-A1 17Beta-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-02-19 — — US disclosed
US-20090048218-A1 17Beta-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-02-19 — — US disclosed
US-20090048218-A1 17Beta-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-02-19 — — US disclosed
WO-2008151745-A1 17BETA-CYANO-18A-HOMO-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-20090048218-A1 17Beta-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE HSD17B7, HSD17B11, CYP17A1 AR 106/4885NR3C2 13/4885PGR 91/4885

“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.

Send feedback