SCHEMBL6800549

SCHEMBL6800549

C[C@]12CCCCC1C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](Br)C[C@@H]12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
G6PD P11413 2/20 0.55
GPBAR1 Q8TDU6 3/20 0.47
NR1H4 Q96RI1 2/20 0.47
CYP19A1 P11511 10/20 0.43
SLC10A1 Q14973 1/20 0.37
NR3C1 P04150 1/20 0.37
SHBG P04278 1/20 0.36

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
SCHEMBL13886300 1.00 G6PD (0.55) G6PDGPBAR1NR1H4CYP19A1SLC10A1
SCHEMBL6800556 1.00 G6PD (0.55) G6PDGPBAR1NR1H4CYP19A1SLC10A1
SCHEMBL6805304 1.00 G6PD (0.55) G6PDGPBAR1NR1H4CYP19A1SLC10A1
SCHEMBL498315 0.85 G6PD (0.68) G6PDGPBAR1NR1H4NR3C1SHBG
SCHEMBL497499 0.85 G6PD (0.68) G6PDGPBAR1NR1H4NR3C1SHBG
SCHEMBL6700980 0.85 G6PD (0.68) G6PDGPBAR1NR1H4NR3C1SHBG
SCHEMBL497498 0.85 G6PD (0.68) G6PDGPBAR1NR1H4NR3C1SHBG
SCHEMBL7184760 0.85 G6PD (0.68) G6PDGPBAR1NR1H4NR3C1SHBG
SCHEMBL498095 0.85 G6PD (0.68) G6PDGPBAR1NR1H4NR3C1SHBG
SCHEMBL4584460 0.85 GPBAR1 (0.47) G6PDGPBAR1NR1H4CYP19A1SLC10A1

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-20040097406-A1 Pharmaceutical compositions and treatment methods - 4 BIOVIE INC. 2004-05-20 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-20040097406-A1 Pharmaceutical compositions and treatment methods - 4 HSD3B1, IL4, HSD17B7 G6PD 526/4885GPBAR1 313/4885NR1H4 41/4885

“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.