SCHEMBL5157400

SCHEMBL5157400

CCC(CC)(c1cccc(C)c1)c1ccc(OS(=O)(=O)C(F)(F)F)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.41
DRD2 P14416 5/20 0.37
DRD3 P35462 5/20 0.37
DRD1 P21728 3/20 0.37
DRD4 P21917 3/20 0.37
DRD5 P21918 3/20 0.37
STS P08842 1/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC3 O15379 2/20 0.36
AR P10275 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
HTR1D P28221 2/20 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
SCHEMBL14253999 0.85 GAA (0.44) VDRDRD2DRD3DRD1DRD4
SCHEMBL5156307 0.83 AR (0.50) VDRDRD2DRD3DRD1DRD4
SCHEMBL1525824 0.83 ESR1 (0.58) VDRARESR1ESR2
SCHEMBL2976823 0.81 FFAR4 (0.45) VDRMRGPRX4
SCHEMBL13857578 0.80 VDR (0.42) VDRDRD2DRD3DRD1DRD4
SCHEMBL29492903 0.80 MAPK1 (0.41) VDRDRD2DRD3DRD1DRD4
SCHEMBL20556401 0.80 MAPK1 (0.41) VDRDRD2DRD3DRD1DRD4
SCHEMBL2979160 0.79 ESR1 (0.46) VDRSTSHDAC6HDAC3AR
SCHEMBL5153949 0.79 VDR (0.50) VDRHDAC6HDAC3AR
SCHEMBL5159141 0.79 VDR (0.41) VDRDRD2DRD3DRD1DRD4

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
EP-1740522-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D SB 3 /SB RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-01-10 EP disclosed
US-20060025474-A1 Bisphenyl compounds useful as vitamin D3 receptor agonists CHUGAI SEIYAKU KABUSHIKA KAISHA (JP) 2006-02-02 US disclosed
WO-2005087700-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D3 RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-22 WO 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-20060025474-A1 Bisphenyl compounds useful as vitamin D3 receptor agonists VDR, CYP2R1, CYP24A1 VDR 1/4885DRD2 112/4885DRD3 22/4885

“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.