SCHEMBL7180772

SCHEMBL7180772

C[C@]12CCC(=O)C[C@@H]1C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](Br)C[C@@H]12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SHBG P04278 3/20 0.56
GPBAR1 Q8TDU6 2/20 0.53
G6PD P11413 2/20 0.50
AR P10275 13/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
SERPINA6 P08185 1/20 0.47
NR3C2 P08235 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP19A1 P11511 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MGAM O43451 1/20 0.47

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
SCHEMBL7177293 1.00 SHBG (0.56) SHBGGPBAR1G6PDARNR3C1
SCHEMBL7177299 1.00 SHBG (0.56) SHBGGPBAR1G6PDARNR3C1
SCHEMBL24198611 0.87 SHBG (0.57) SHBGGPBAR1ARNR3C1PGR
SCHEMBL6800556 0.83 G6PD (0.55) SHBGGPBAR1G6PDNR3C1CYP19A1
SCHEMBL7184760 0.83 G6PD (0.68) SHBGGPBAR1G6PDNR3C1
SCHEMBL497499 0.83 G6PD (0.68) SHBGGPBAR1G6PDNR3C1
SCHEMBL498095 0.83 G6PD (0.68) SHBGGPBAR1G6PDNR3C1
SCHEMBL497498 0.83 G6PD (0.68) SHBGGPBAR1G6PDNR3C1
SCHEMBL6800549 0.83 G6PD (0.55) SHBGGPBAR1G6PDNR3C1CYP19A1
SCHEMBL13886300 0.83 G6PD (0.55) SHBGGPBAR1G6PDNR3C1CYP19A1

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-20030060425-A1 Immune modulation method using steroid compounds BIOVIE INC. 2003-03-27 US claimed

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-20030060425-A1 Immune modulation method using steroid compounds HSD3B1, NR5A1, HSD17B1 SHBG 45/4885GPBAR1 205/4885G6PD 769/4885

“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.