SCHEMBL5153331

SCHEMBL5153331

CCC(CC)(c1ccc(C#CC(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(OC[C@H](O)CC(=O)O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VDR P11473 15/20 0.48
AR P10275 6/20 0.48
HDAC6 Q9UBN7 3/20 0.44
HDAC3 O15379 2/20 0.43

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
SCHEMBL5153347 1.00 VDR (0.48) VDRARHDAC6HDAC3
SCHEMBL5158951 1.00 VDR (0.48) VDRARHDAC6HDAC3
SCHEMBL5153866 0.91 HDAC6 (0.54) VDRARHDAC6HDAC3
SCHEMBL5153879 0.91 HDAC6 (0.54) VDRARHDAC6HDAC3
SCHEMBL5156567 0.91 HDAC6 (0.54) VDRARHDAC6HDAC3
SCHEMBL5153898 0.89 HDAC6 (0.48) VDRARHDAC6HDAC3
SCHEMBL5155557 0.89 HDAC6 (0.48) VDRARHDAC6HDAC3
SCHEMBL5153910 0.89 HDAC6 (0.48) VDRARHDAC6HDAC3
SCHEMBL5153987 0.88 VDR (0.62) VDRAR
SCHEMBL5153979 0.88 VDR (0.62) VDRAR

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 1/4885AR 275/4885HDAC6 4385/4885

“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.