SCHEMBL6317762

SCHEMBL6317762

COC(=O)C12CC3CC(C1)C(NC=O)C(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.39
GLA P06280 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
HSD11B2 P80365 5/20 0.37
SCN9A Q15858 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34

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
SCHEMBL15831171 0.83 GLA (0.47) HSD11B1GLAALDH1A1TSHRSCN9A
SCHEMBL233311 0.82 HSD11B1 (0.44) HSD11B1HSD11B2
SCHEMBL1035514 0.78 GLA (0.43) HSD11B1GLAALDH1A1TSHRHSD11B2
SCHEMBL13495293 0.78 GLA (0.43) HSD11B1GLAALDH1A1TSHRHSD11B2
SCHEMBL905300 0.77 GLA (0.57) GLAALDH1A1TSHRMEN1KMT2A
SCHEMBL1844624 0.77 GLA (0.42) HSD11B1GLAALDH1A1TSHRHSD11B2
SCHEMBL1844621 0.77 GLA (0.42) HSD11B1GLAALDH1A1TSHRHSD11B2
SCHEMBL328838 0.77 GLA (0.42) HSD11B1GLAALDH1A1TSHRHSD11B2
SCHEMBL1844620 0.77 GLA (0.42) HSD11B1GLAALDH1A1TSHRHSD11B2
SCHEMBL1896218 0.77 GLA (0.42) HSD11B1GLAALDH1A1TSHRHSD11B2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245534-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES 2005-11-03 US disclosed
US-6891004-B2 Transition metal catalyst component for polymerization, and method for producing a polymer by means thereof DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2005-05-10 US disclosed
US-20030149201-A1 Transition metal catalyst component for polymerization, and method for producing a polymer by means thereof DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2003-08-07 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-20050245534-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885GLA 1268/4885ALDH1A1 157/4885

“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.