SCHEMBL5154028

SCHEMBL5154028

C=CCc1ccc(C(CC)(CC)c2ccc(CCC(O)C(C)(C)C)c(C)c2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VDR P11473 12/20 0.46
HDAC6 Q9UBN7 5/20 0.46
HDAC3 O15379 3/20 0.46
AR P10275 5/20 0.41
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HDAC1 Q13547 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
SCHEMBL5153604 0.89 VDR (0.55) VDRHDAC6HDAC3ARESR1
SCHEMBL1059040 0.83 ESR1 (0.54) VDRHDAC6HDAC3ARESR1
SCHEMBL5156575 0.83 VDR (0.49) VDRHDAC6HDAC3ARESR1
SCHEMBL1525718 0.83 ESR1 (0.59) VDRHDAC6HDAC3ARESR1
SCHEMBL5155936 0.82 VDR (0.54) VDRHDAC6HDAC3AR
SCHEMBL5156434 0.82 VDR (0.48) VDRHDAC6HDAC3ARESR1
SCHEMBL1056430 0.80 HDAC6 (0.48) VDRHDAC6HDAC3ARHDAC1
SCHEMBL5156192 0.80 HDAC6 (0.56) VDRHDAC6HDAC3ARHDAC1
SCHEMBL5156898 0.79 HDAC3 (0.36) VDRHDAC6HDAC3ARESR1
SCHEMBL12764261 0.79 HDAC3 (0.40) VDRHDAC6HDAC3ARHDAC1

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 VDR 1/4885HDAC6 4385/4885HDAC3 1080/4885

“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.