SCHEMBL6802275

SCHEMBL6802275

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
CYP1B1 Q16678 1/20 0.44
CYP19A1 P11511 4/20 0.40
GPBAR1 Q8TDU6 2/20 0.35
HSD17B1 P14061 2/20 0.35
TDP1 Q9NUW8 1/20 0.32
G6PD P11413 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
HSD17B3 P37058 1/20 0.31

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
SCHEMBL6802281 1.00 ABL1 (0.44) ABL1RIN1CYP1B1CYP19A1GPBAR1
SCHEMBL6806931 0.85 G6PD (0.47) ABL1RIN1CYP19A1GPBAR1TDP1
SCHEMBL6806928 0.85 G6PD (0.47) ABL1RIN1CYP19A1GPBAR1TDP1
SCHEMBL6835190 0.79 CYP19A1 (0.44) ABL1RIN1CYP1B1CYP19A1GPBAR1
SCHEMBL503216 0.79 CYP19A1 (0.61) CYP1B1CYP19A1GPBAR1TDP1G6PD
SCHEMBL4440828 0.79 CYP19A1 (0.61) CYP1B1CYP19A1GPBAR1TDP1G6PD
SCHEMBL8528644 0.79 CYP19A1 (0.61) CYP1B1CYP19A1GPBAR1TDP1G6PD
SCHEMBL5312818 0.79 CYP19A1 (0.61) CYP1B1CYP19A1GPBAR1TDP1G6PD
SCHEMBL503217 0.79 CYP19A1 (0.61) CYP1B1CYP19A1GPBAR1TDP1G6PD
SCHEMBL1418612 0.79 ABL1 (0.49) ABL1RIN1CYP19A1GPBAR1SLC10A2

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 ABL1 2656/4885RIN1 2348/4885CYP1B1 184/4885

“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.