SCHEMBL12847403

SCHEMBL12847403

COC(=O)[C@]12CC3CC(C1)[C@@H](OC(C)=O)C(C3)C2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.48
SCN9A Q15858 2/20 0.42
GLA P06280 1/20 0.40
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
GAA P10253 1/20 0.35
XBP1 P17861 1/20 0.35

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
SCHEMBL1696544 1.00 HSD11B1 (0.48) HSD11B1SCN9AGLAALDH1A1MAPT
SCHEMBL1036632 0.87 HSD11B1 (0.48) HSD11B1SCN9AGLAALDH1A1MAPT
SCHEMBL17188550 0.87 HSD11B1 (0.48) HSD11B1SCN9AGLAALDH1A1MAPT
SCHEMBL15831171 0.86 GLA (0.47) HSD11B1SCN9AGLAALDH1A1MAPT
SCHEMBL17050923 0.85 HSD11B1 (0.39) HSD11B1SCN9AALDH1A1MAPTMEN1
SCHEMBL18467244 0.84 PRKCA (0.44) HSD11B1SCN9AALDH1A1MAPTMEN1
SCHEMBL15432440 0.84 LMNA (0.42) HSD11B1ALDH1A1MAPTMEN1KMT2A
SCHEMBL1035514 0.81 GLA (0.43) HSD11B1SCN9AGLAALDH1A1MAPT
SCHEMBL13495293 0.81 GLA (0.43) HSD11B1SCN9AGLAALDH1A1MAPT
SCHEMBL905300 0.80 GLA (0.57) GLAALDH1A1MAPTMEN1KMT2A

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-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-03-03 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-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885SCN9A 1353/4885GLA 1973/4885

“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.