SCHEMBL5159443

SCHEMBL5159443

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.42
ESR2 Q92731 4/20 0.42
AR P10275 2/20 0.41
MRGPRX4 Q96LA9 6/20 0.39
CYP2C19 P33261 1/20 0.39
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
FFAR1 O14842 2/20 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
SCHEMBL2978686 0.93 ESR1 (0.52) ESR1ESR2AR
SCHEMBL2979160 0.93 ESR1 (0.46) ESR1ESR2AR
SCHEMBL1525824 0.82 ESR1 (0.58) ESR1ESR2AR
SCHEMBL2950878 0.79 ESR1 (0.49) ESR1ESR2AR
SCHEMBL2947658 0.79 ESR1 (0.56) ESR1ESR2AR
SCHEMBL29909456 0.78 CYP2C19 (0.52) MRGPRX4CYP2C19PPARAFFAR1
SCHEMBL4066885 0.78 CYP2C19 (0.52) MRGPRX4CYP2C19PPARAFFAR1
SCHEMBL1525164 0.78 ESR1 (0.52) ESR1ESR2AR
SCHEMBL11430160 0.78 ESR1 (0.64) ESR1ESR2AR
SCHEMBL2950031 0.77 VDR (0.64) ARCYP2C19

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 ESR1 139/4885ESR2 92/4885AR 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.