SCHEMBL5488565

SCHEMBL5488565

C[C@]12CC=C(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 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
G6PD P11413 3/20 0.46
CYP19A1 P11511 12/20 0.39
SHBG P04278 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
SLC10A1 Q14973 1/20 0.33
NR3C1 P04150 1/20 0.32

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
SCHEMBL497527 1.00 G6PD (0.46) G6PDCYP19A1SHBGGPBAR1ABL1
SCHEMBL9172177 0.83 ABL1 (0.47) G6PDCYP19A1SHBGGPBAR1ABL1
SCHEMBL497634 0.82 G6PD (0.61) G6PDCYP19A1SHBGGPBAR1NR3C1
SCHEMBL6000815 0.81 SHBG (0.47) CYP19A1SHBGGPBAR1
SCHEMBL4438158 0.81 SHBG (0.35) CYP19A1SHBGGPBAR1SLC10A1NR3C1
SCHEMBL6804965 0.81 SHBG (0.35) CYP19A1SHBGGPBAR1SLC10A1NR3C1
SCHEMBL497582 0.81 SHBG (0.35) CYP19A1SHBGGPBAR1SLC10A1NR3C1
SCHEMBL7177293 0.81 SHBG (0.56) G6PDCYP19A1SHBGGPBAR1NR3C1
SCHEMBL7177299 0.81 SHBG (0.56) G6PDCYP19A1SHBGGPBAR1NR3C1
SCHEMBL7180772 0.81 SHBG (0.56) G6PDCYP19A1SHBGGPBAR1NR3C1

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-20070129282-A1 Pharmaceutical treatments and compositions BIOVIE INC. 2007-06-07 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-20070129282-A1 Pharmaceutical treatments and compositions HSD3B1, HSD3B2, HSD17B1 G6PD 506/4885CYP19A1 31/4885SHBG 49/4885

“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.