SCHEMBL6806928

SCHEMBL6806928

C[C@]12CCCCC1CC(=O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](Br)C[C@@H]12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
G6PD P11413 2/20 0.47
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
CYP19A1 P11511 11/20 0.44
GPBAR1 Q8TDU6 2/20 0.35
TDP1 Q9NUW8 1/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1B1 P15121 1/20 0.32
OR51E2 Q9H255 1/20 0.32
SLC10A2 Q12908 1/20 0.32
SLC10A1 Q14973 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
SCHEMBL6806931 1.00 G6PD (0.47) G6PDABL1RIN1CYP19A1GPBAR1
SCHEMBL6802275 0.85 ABL1 (0.44) G6PDABL1RIN1CYP19A1GPBAR1
SCHEMBL6802281 0.85 ABL1 (0.44) G6PDABL1RIN1CYP19A1GPBAR1
SCHEMBL7185765 0.82 G6PD (0.67) G6PDABL1RIN1GPBAR1AKR1B10
SCHEMBL7185770 0.82 G6PD (0.67) G6PDABL1RIN1GPBAR1AKR1B10
SCHEMBL7192083 0.82 G6PD (0.67) G6PDABL1RIN1GPBAR1AKR1B10
SCHEMBL8528354 0.79 G6PD (0.69) G6PDCYP19A1GPBAR1
SCHEMBL8640096 0.79 G6PD (0.69) G6PDCYP19A1GPBAR1
SCHEMBL9764804 0.79 G6PD (0.69) G6PDCYP19A1GPBAR1
SCHEMBL5961150 0.79 G6PD (0.69) G6PDCYP19A1GPBAR1

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 526/4885ABL1 2656/4885RIN1 2348/4885

“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.