SCHEMBL13093754

SCHEMBL13093754

CC#C[C@]1(O)C2C[C@H]2C2C3C4C[C@H]4C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.65
AR P10275 3/20 0.65
NR3C1 P04150 3/20 0.63
LMNA P02545 2/20 0.63
ABCC4 O15439 1/20 0.63
ABCB11 O95342 1/20 0.63
CHRM2 P08172 1/20 0.63
HTR2A P28223 1/20 0.63
HTR2B P41595 1/20 0.63
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP19A1 P11511 14/20 0.43
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL12558847 1.00 PGR (0.65) PGRARNR3C1LMNAABCC4
SCHEMBL12558807 0.90 PGR (0.62) PGRARNR3C1LMNAABCC4
SCHEMBL13146528 0.90 PGR (0.62) PGRARNR3C1LMNAABCC4
SCHEMBL12558787 0.85 PGR (0.56) PGRARNR3C1LMNAABCC4
SCHEMBL13046014 0.81 PGR (0.68) PGRARNR3C1LMNAABCC4
SCHEMBL14981310 0.81 PGR (0.88) PGRARNR3C1LMNAABCC4
SCHEMBL13139288 0.80 PGR (0.65) PGRARNR3C1LMNAABCC4
SCHEMBL13093755 0.80 PGR (0.65) PGRARNR3C1LMNAABCC4
SCHEMBL14256372 0.80 PGR (0.80) PGRARNR3C1LMNAABCC4
SCHEMBL13146516 0.80 PGR (0.57) PGRARNR3C1LMNAABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334375-B2 Methods for the preparation of drospirenone EVESTRA, INC. (US) 2012-12-18 US disclosed
US-20100261896-A1 METHODS FOR THE PREPARATION OF DROSPIRENONE EVESTRA, INC. 2010-10-14 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-20100261896-A1 METHODS FOR THE PREPARATION OF DROSPIRENONE CYP17A1, CYP11A1, DHCR7 PGR 357/4885AR 211/4885NR3C1 537/4885

“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.