SCHEMBL5159864

SCHEMBL5159864

CCC(CC)(c1ccc(CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C)c(C)c1)c1ccc(OCc2ccc(C(=O)OC)cc2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.45
HDAC3 O15379 5/20 0.45
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
VDR P11473 2/20 0.39
HDAC1 Q13547 1/20 0.39
KMT2A Q03164 1/20 0.36
AR P10275 1/20 0.36
STAT3 P40763 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL5159870 1.00 HDAC6 (0.45) HDAC6HDAC3MAPTCYP1A2CYP3A4
SCHEMBL5153776 0.85 HDAC6 (0.49) HDAC6HDAC3VDRHDAC1AR
SCHEMBL5155819 0.85 HDAC6 (0.42) HDAC6HDAC3SMN1; SMN2RAB9AL3MBTL1
SCHEMBL1525763 0.84 SLC2A1 (0.40) HDAC6HDAC3SMN1; SMN2VDRHDAC1
SCHEMBL5156974 0.83 VDR (0.48) HDAC6HDAC3VDRHDAC1AR
SCHEMBL5158570 0.82 HDAC6 (0.47) HDAC6HDAC3VDRHDAC1AR
SCHEMBL5158564 0.81 HDAC6 (0.54) HDAC6HDAC3VDRHDAC1AR
SCHEMBL5158573 0.81 HDAC6 (0.54) HDAC6HDAC3VDRHDAC1AR
SCHEMBL1525123 0.80 DGAT2 (0.37) HDAC6HDAC3RAB9A
SCHEMBL5156578 0.79 HDAC6 (0.40) HDAC6HDAC3VDRHDAC1AR

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 HDAC6 4385/4885HDAC3 1080/4885MAPT 4560/4885

“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.