SCHEMBL5154128

SCHEMBL5154128

CCC(CC)(c1ccc(C#CC(OCOC)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(CCC(=O)OC)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VDR P11473 15/20 0.44
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
IDH1 O75874 2/20 0.32

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
SCHEMBL5155828 0.86 VDR (0.43) VDR
SCHEMBL5156406 0.85 VDR (0.49) VDRHDAC6HDAC3
SCHEMBL5158412 0.85 VDR (0.43) VDRHDAC6
SCHEMBL5156602 0.83 HDAC6 (0.46) VDRHDAC6HDAC3
SCHEMBL5154111 0.82 VDR (0.59) VDRHDAC6HDAC3
SCHEMBL12764420 0.82 VDR (0.39) VDR
SCHEMBL1524972 0.81 VDR (0.41) VDR
SCHEMBL1525058 0.81 ESR1 (0.49) VDR
SCHEMBL1525677 0.80 VDR (0.42) VDR
SCHEMBL5153654 0.79 VDR (0.40) VDR

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 1/4885HDAC6 4385/4885HDAC3 1080/4885

“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.