SCHEMBL4110108

SCHEMBL4110108

CC[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.52
AR P10275 8/20 0.52
LMNA P02545 5/20 0.38
CYP3A4 P08684 4/20 0.38
SLC6A4 P31645 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SHBG P04278 2/20 0.38
ESR1 P03372 2/20 0.38
CYP2C19 P33261 2/20 0.38
NR3C1 P04150 1/20 0.38
POLB P06746 1/20 0.38
ABCB11 O95342 1/20 0.38
NR3C2 P08235 2/20 0.37
SERPINA6 P08185 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SLC22A1 O15245 1/20 0.36
THRB P10828 1/20 0.36
CYP19A1 P11511 2/20 0.35
OPRM1 P35372 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
SCHEMBL13333536 0.90 PGR (0.52) PGRARLMNACYP3A4SLC6A4
SCHEMBL4207166 0.84 AR (0.52) PGRARLMNACYP3A4SLC6A4
SCHEMBL4108527 0.84 PGR (0.53) PGRARLMNACYP3A4SLC6A4
SCHEMBL10089004 0.84 AR (0.52) PGRARLMNACYP3A4SLC6A4
SCHEMBL13333280 0.80 PGR (0.47) PGRARLMNACYP3A4SLC6A4
SCHEMBL4102539 0.78 CYP19A1 (0.48) PGRARLMNACYP3A4SLC6A4
SCHEMBL4113171 0.77 PGR (0.57) PGRARLMNACYP3A4SLC6A4
SCHEMBL4107605 0.76 CYP19A1 (0.41) PGRARLMNACYP3A4SLC6A4
SCHEMBL4101159 0.75 AR (0.45) PGRARLMNACYP3A4SLC6A4
SCHEMBL4112739 0.75 AR (0.55) PGRARLMNACYP3A4SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PGR 91/4885AR 106/4885LMNA 3164/4885

“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.