SCHEMBL6406521

SCHEMBL6406521

COC(=O)CC[C@@]1(O)CC[C@H]2[C@@H]3[C@H](C(=O)OC)CC4=CC(=O)CC[C@]4(C)C34O[C@H]4C[C@@]21C

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.68
PGR P06401 6/20 0.68
NR3C2 P08235 3/20 0.68
AR P10275 3/20 0.68
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP17A1 P05093 1/20 0.33
HIF1A Q16665 2/20 0.33
CYP3A4 P08684 2/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL17603224 1.00 NR3C1 (0.68) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL3274555 1.00 NR3C1 (0.68) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL3279049 1.00 NR3C1 (0.68) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL14437808 1.00 NR3C1 (0.68) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL10942668 0.94 NR3C1 (0.60) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL10942681 0.94 NR3C1 (0.60) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL3275715 0.93 NR3C1 (0.68) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL6408534 0.93 NR3C1 (0.68) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL4982380 0.93 NR3C1 (0.68) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL4979442 0.93 NR3C1 (0.68) NR3C1PGRNR3C2ARALDH1A1

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-20050215537-A1 Epoxy-steroidal aldosterone antagonist and beta-adrenergic antagonist combination therapy for treatment of congestive heart failure PHARMACIA CORPORATION 2005-09-29 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-20050215537-A1 Epoxy-steroidal aldosterone antagonist and beta-adrenergic antagonist combination therapy for treatment of congestive heart failure ADRB1, ADRB2, ADRB3 NR3C1 32/4885PGR 338/4885NR3C2 4/4885

“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.