SCHEMBL4887284

SCHEMBL4887284

C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)CCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.54
ATP1A1 P05023 1/20 0.37
ATP1B1 P05026 1/20 0.37
ATP1A3 P13637 1/20 0.37
ATP1B2 P14415 1/20 0.37
ATP1A2 P50993 1/20 0.37
ATP1B3 P54709 1/20 0.37
FXYD2 P54710 1/20 0.37
ATP1A4 Q13733 1/20 0.37
CYP19A1 P11511 1/20 0.35
HSD17B10 Q99714 5/20 0.34
KMT2A Q03164 2/20 0.34
GPBAR1 Q8TDU6 2/20 0.34
AKR1B10 O60218 1/20 0.34
AKR1B1 P15121 1/20 0.34
EFNA1 P20827 1/20 0.34
EPHA2 P29317 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 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
SCHEMBL11793890 0.88 SHBG (0.51) SHBGATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL11793885 0.88 SHBG (0.51) SHBGATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL2010128 0.85 SHBG (0.53) SHBGHSD17B10KMT2AGPBAR1LMNA
SCHEMBL9223384 0.84 SHBG (0.48) SHBGATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL5856187 0.83 SHBG (0.44) SHBGATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL5856182 0.83 SHBG (0.44) SHBGATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL10794999 0.82 SHBG (0.39) SHBGATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL1331512 0.82 CYP19A1 (0.47) SHBGATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL11520209 0.82 CYP19A1 (0.47) SHBGATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL1868110 0.80 NR3C1 (0.53) SHBGHSD17B10KMT2AGPBAR1HIF1A

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-20080033046-A1 Treatment of myocardial infarction with 11HSD1 inhibitors UNIVERSITY OF EDINBURGH (GB) 2008-02-07 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-20080033046-A1 Treatment of myocardial infarction with 11HSD1 inhibitors HSD11B1, HSD11B2, CYP11B1 SHBG 1208/4885ATP1A1 1517/4885ATP1B1 2032/4885

“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.