SCHEMBL5158437

SCHEMBL5158437

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
VDR P11473 6/20 0.47
AR P10275 3/20 0.47
HDAC3 O15379 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
NR1H4 Q96RI1 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
ESR1 P03372 3/20 0.41
ESR2 Q92731 2/20 0.41
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38

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
SCHEMBL5153709 0.89 NPSR1 (0.49) NPSR1VDRARHDAC3HDAC6
SCHEMBL5159164 0.86 PTGDR2 (0.47) NPSR1VDRARHDAC3HDAC6
SCHEMBL5156660 0.84 HDAC6 (0.52) VDRARHDAC3HDAC6ESR1
SCHEMBL5155789 0.83 HDAC6 (0.52) VDRARHDAC3HDAC6ESR1
SCHEMBL1053011 0.82 ESR1 (0.65) VDRARESR1ESR2
SCHEMBL6015317 0.81 ESR1 (0.65) VDRARHDAC3HDAC6ESR1
SCHEMBL5156192 0.81 HDAC6 (0.56) NPSR1VDRARHDAC3HDAC6
SCHEMBL5158394 0.81 HDAC6 (0.60) VDRARHDAC3HDAC6
SCHEMBL5159294 0.81 HDAC6 (0.60) VDRARHDAC3HDAC6
SCHEMBL5158382 0.81 HDAC6 (0.60) VDRARHDAC3HDAC6

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 6 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 claimed
US-20060025474-A1 Bisphenyl compounds useful as vitamin D3 receptor agonists CHUGAI SEIYAKU KABUSHIKA KAISHA (JP) 2006-02-02 US claimed
WO-2005087700-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D3 RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-22 WO 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 NPSR1 39/4885VDR 1/4885AR 275/4885

“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.