SCHEMBL5156341

SCHEMBL5156341

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.52
HDAC3 O15379 4/20 0.52
VDR P11473 11/20 0.45
AR P10275 4/20 0.45
HDAC1 Q13547 1/20 0.44

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
SCHEMBL14254001 0.88 HDAC6 (0.43) HDAC6HDAC3VDRARHDAC1
SCHEMBL2942932 0.84 VDR (0.65) HDAC6HDAC3VDRARHDAC1
SCHEMBL3395532 0.83 HDAC3 (0.65) HDAC6HDAC3VDRARHDAC1
SCHEMBL1525203 0.82 HDAC6 (0.39) HDAC6HDAC3VDRARHDAC1
SCHEMBL2978625 0.82 VDR (0.51) HDAC6HDAC3VDRAR
SCHEMBL5153604 0.82 VDR (0.55) HDAC6HDAC3VDRARHDAC1
SCHEMBL5158556 0.80 HDAC6 (0.48) HDAC6HDAC3VDRHDAC1
SCHEMBL13236499 0.80 VDR (0.56) HDAC6HDAC3VDRARHDAC1
SCHEMBL2943185 0.80 VDR (0.56) HDAC6HDAC3VDRARHDAC1
SCHEMBL5156192 0.78 HDAC6 (0.56) HDAC6HDAC3VDRARHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110060146-A1 VITAMIN-D-LIKE COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-10 US disclosed
US-20090137609-A1 VITAMIN D-LIKE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-05-28 US disclosed
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 (3 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-20090137609-A1 VITAMIN D-LIKE COMPOUND VDR, CYP24A1, CYP2R1 HDAC6 2439/4885HDAC3 1349/4885VDR 1/4885
US-20060025474-A1 Bisphenyl compounds useful as vitamin D3 receptor agonists VDR, CYP2R1, CYP24A1 HDAC6 4385/4885HDAC3 1080/4885VDR 1/4885
US-20110060146-A1 VITAMIN-D-LIKE COMPOUNDS VDR, CYP24A1, CYP2R1 HDAC6 2292/4885HDAC3 1230/4885VDR 1/4885

“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.