SCHEMBL5159775

SCHEMBL5159775

CCC(CC)(c1ccc(C#CC(C)(C)O)c(C)c1)c1ccc(OCCCCC(=O)O)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.50
VDR P11473 9/20 0.47
HDAC3 O15379 3/20 0.46
TSHR P16473 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL5158307 0.99 HDAC6 (0.51) HDAC6VDRHDAC3
SCHEMBL5153268 0.92 VDR (0.52) HDAC6VDRHDAC3
SCHEMBL5156030 0.91 VDR (0.51) HDAC6VDRHDAC3
SCHEMBL5158840 0.89 HDAC6 (0.46) HDAC6VDRHDAC3
SCHEMBL5153726 0.88 HDAC6 (0.46) HDAC6VDRHDAC3
SCHEMBL5155799 0.86 HDAC6 (0.52) HDAC6VDRHDAC3AR
SCHEMBL5156425 0.86 HDAC6 (0.52) HDAC6VDRHDAC3AR
SCHEMBL5155813 0.86 HDAC6 (0.52) HDAC6VDRHDAC3AR
SCHEMBL5155770 0.85 VDR (0.45) HDAC6VDRHDAC3
SCHEMBL5159709 0.85 HDAC6 (0.55) HDAC6VDRHDAC3AR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060025474-A1 Bisphenyl compounds useful as vitamin D3 receptor agonists CHUGAI SEIYAKU KABUSHIKA KAISHA (JP) 2006-02-02 US claimed
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 HDAC6 4385/4885VDR 1/4885HDAC3 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.