SCHEMBL5157435

SCHEMBL5157435

CCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(OCc3ccc(C(=O)O)cc3)c(C)c2)cc1C)CC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.48
RXRA P19793 6/20 0.48
RXRB P28702 6/20 0.48
RXRG P48443 5/20 0.48
VDR P11473 1/20 0.44
NR4A2 P43354 1/20 0.42
PPARA Q07869 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
FOLH1 Q04609 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
PAX8 Q06710 1/20 0.41
KLF5 Q13887 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL5157445 1.00 MRGPRX4 (0.48) MRGPRX4RXRARXRBRXRGVDR
SCHEMBL5158864 0.90 MAPT (0.46) MRGPRX4VDRNPC1RAB9ASMN1; SMN2
SCHEMBL5158882 0.90 MAPT (0.46) MRGPRX4VDRNPC1RAB9ASMN1; SMN2
SCHEMBL5157059 0.89 MRGPRX4 (0.62) MRGPRX4
SCHEMBL5157067 0.89 MRGPRX4 (0.62) MRGPRX4
SCHEMBL5994590 0.88 MRGPRX4 (0.43) MRGPRX4RXRARXRBRXRGNR4A2
SCHEMBL5157346 0.85 RXRA (0.41) MRGPRX4RXRAVDRNPC1RAB9A
SCHEMBL5157350 0.85 RXRA (0.41) MRGPRX4RXRAVDRNPC1RAB9A
SCHEMBL5154092 0.84 VDR (0.41) MRGPRX4VDRHDAC3HDAC6
SCHEMBL5154104 0.84 VDR (0.41) MRGPRX4VDRHDAC3HDAC6

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 MRGPRX4 103/4885RXRA 17/4885RXRB 28/4885

“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.