SCHEMBL5157350

SCHEMBL5157350

CCC(O)(C=Cc1ccc(C(CC)(CC)c2ccc(Oc3ccc(C(=O)O)cc3)c(C)c2)cc1C)CC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
VDR P11473 1/20 0.40
LPAR1 Q92633 4/20 0.39
LPAR5 Q9H1C0 4/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC6 Q9UBN7 5/20 0.38
HDAC3 O15379 2/20 0.38
ESR1 P03372 2/20 0.37
FFAR1 O14842 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
TTR P02766 1/20 0.35

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
SCHEMBL5157346 1.00 RXRA (0.41) RXRAVDRLPAR1LPAR5NPC1
SCHEMBL5156827 0.90 ALDH1A1 (0.41) VDRHDAC6HDAC3
SCHEMBL5156816 0.90 ALDH1A1 (0.41) VDRHDAC6HDAC3
SCHEMBL5157435 0.85 MRGPRX4 (0.48) RXRAVDRNPC1POLBRAB9A
SCHEMBL5157445 0.85 MRGPRX4 (0.48) RXRAVDRNPC1POLBRAB9A
SCHEMBL1525455 0.83 RARB (0.41) ESR1
SCHEMBL1525452 0.83 RARB (0.41) ESR1
SCHEMBL5156773 0.82 ESR1 (0.43) RXRAVDRHDAC6HDAC3ESR1
SCHEMBL5156788 0.82 ESR1 (0.43) RXRAVDRHDAC6HDAC3ESR1
SCHEMBL5156908 0.80 VDR (0.55) VDRHDAC6HDAC3

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 RXRA 17/4885VDR 1/4885LPAR1 181/4885

“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.