SCHEMBL5156773

SCHEMBL5156773

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.43
ESR2 Q92731 5/20 0.39
AR P10275 3/20 0.39
VDR P11473 3/20 0.39
NR1H4 Q96RI1 1/20 0.38
RXRB P28702 2/20 0.38
RXRA P19793 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC3 O15379 2/20 0.36
RARB P10826 1/20 0.34

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
SCHEMBL5156788 1.00 ESR1 (0.43) ESR1ESR2ARVDRNR1H4
SCHEMBL5158971 0.88 ESR1 (0.39) ESR1ESR2ARVDRCYP1A1
SCHEMBL5158963 0.88 ESR1 (0.39) ESR1ESR2ARVDRCYP1A1
SCHEMBL13709344 0.85 VDR (0.41) ESR1ESR2ARVDRNR1H4
SCHEMBL13709343 0.84 ESR1 (0.37) ESR1ESR2ARVDRNR1H4
SCHEMBL13709361 0.84 VDR (0.41) ESR1ESR2ARVDRCYP1A1
SCHEMBL12764233 0.84 ESR1 (0.45) ESR1ESR2ARVDRHDAC6
SCHEMBL1525452 0.83 RARB (0.41) ESR1CYP1A1CYP1B1RARB
SCHEMBL1525455 0.83 RARB (0.41) ESR1CYP1A1CYP1B1RARB
SCHEMBL13709357 0.83 ESR1 (0.36) ESR1ESR2ARVDRHDAC6

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 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.