SCHEMBL13046014

SCHEMBL13046014

C[C@]12CCC(=O)C=C1[C@@H]1C[C@@H]1[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@](C)(C#N)[C@@]3(C)CC[C@@H]12

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.68
AR P10275 2/20 0.68
LMNA P02545 1/20 0.66
ABCC4 O15439 1/20 0.66
ABCB11 O95342 1/20 0.66
NR3C1 P04150 1/20 0.66
CHRM2 P08172 1/20 0.66
HTR2A P28223 1/20 0.66
HTR2B P41595 1/20 0.66
CYP19A1 P11511 17/20 0.43

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
SCHEMBL14981310 0.83 PGR (0.88) PGRARLMNAABCC4ABCB11
SCHEMBL3747286 0.83 CYP19A1 (0.60) PGRARLMNAABCC4ABCB11
SCHEMBL13046011 0.83 PGR (0.62) PGRARLMNAABCC4ABCB11
SCHEMBL14256372 0.82 PGR (0.80) PGRARLMNAABCC4ABCB11
SCHEMBL13681411 0.81 PGR (1.00) PGRARLMNAABCC4ABCB11
SCHEMBL13093754 0.81 PGR (0.65) PGRARLMNAABCC4ABCB11
SCHEMBL12558847 0.81 PGR (0.65) PGRARLMNAABCC4ABCB11
Drospirenone SCHEMBL14227067 0.80 PGR (1.00) PGRARLMNAABCC4ABCB11
Drospirenone SCHEMBL13845352 0.80 PGR (1.00) PGRARLMNAABCC4ABCB11
Drospirenone SCHEMBL18717263 0.80 PGR (1.00) PGRARLMNAABCC4ABCB11

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-20100292184-A1 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER SCHERING PHARMA AG (DE) 2010-11-18 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-20100292184-A1 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE HSD17B11, HSD17B7, NR5A1 PGR 61/4885AR 73/4885LMNA 3030/4885

“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.