SCHEMBL13925592

SCHEMBL13925592

CC[C@]12CC[C@H]3[C@@H]([C@@H]4C[C@@H]4C4=CC(=O)CC[C@@H]43)[C@@H]1[C@@H]1C[C@@H]1[C@@]2(C#N)CC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 15/20 0.52
▸ AR P10275 15/20 0.52
▸ NR3C2 P08235 3/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ SHBG P04278 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ CYP19A1 P11511 2/20 0.37

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
SCHEMBL13333278 1.00 PGR (0.52) PGRARNR3C2MEN1CYP3A4
SCHEMBL4101599 0.88 PGR (0.54) PGRARNR3C2MEN1CYP3A4
SCHEMBL4212006 0.88 PGR (0.61) PGRARNR3C2LMNANR3C1
SCHEMBL13981764 0.88 PGR (0.39) PGRAR
SCHEMBL4107418 0.88 PGR (0.54) PGRARNR3C2MEN1CYP3A4
SCHEMBL4212471 0.88 PGR (0.61) PGRARNR3C2LMNANR3C1
SCHEMBL4107680 0.85 PGR (0.54) PGRARNR3C2MEN1CYP3A4
SCHEMBL4102500 0.85 PGR (0.54) PGRARNR3C2MEN1CYP3A4
SCHEMBL4119198 0.83 AR (0.54) PGRARNR3C2MEN1CYP3A4
SCHEMBL4107187 0.83 AR (0.54) PGRARNR3C2MEN1CYP3A4

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 1 patent. 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

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 106/4885NR3C2 13/4885

“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