SCHEMBL5159299

SCHEMBL5159299

CCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(OCc3cccnc3)c(C)c2)cc1C)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
ALOX5 P09917 1/20 0.41
PSEN1 P49768 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
VDR P11473 9/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TNFRSF1A P19438 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
PTPN1 P18031 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HSD17B10 Q99714 1/20 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
SCHEMBL5159313 1.00 PPARG (0.41) PPARGALOX5PSEN1NOS3NOS1
SCHEMBL5154104 0.88 VDR (0.41) VDRMRGPRX4HDAC3HDAC6
SCHEMBL5154092 0.88 VDR (0.41) VDRMRGPRX4HDAC3HDAC6
SCHEMBL5157059 0.80 MRGPRX4 (0.62) MRGPRX4
SCHEMBL5157067 0.80 MRGPRX4 (0.62) MRGPRX4
SCHEMBL5157435 0.79 MRGPRX4 (0.48) VDRSMN1; SMN2PPARAMRGPRX4HDAC3
SCHEMBL5157445 0.79 MRGPRX4 (0.48) VDRSMN1; SMN2PPARAMRGPRX4HDAC3
SCHEMBL5158864 0.77 MAPT (0.46) VDRKMT2ASMN1; SMN2MRGPRX4HDAC3
SCHEMBL5158882 0.77 MAPT (0.46) VDRKMT2ASMN1; SMN2MRGPRX4HDAC3
SCHEMBL5156908 0.76 VDR (0.55) PPARGVDRPPARDPPARAHDAC3

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 PPARG 225/4885ALOX5 1479/4885PSEN1 2841/4885

“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.