SCHEMBL5156380

SCHEMBL5156380

CCC(CC)(c1ccc(C#CC(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(OCCCCCN2C(=O)c3ccccc3C2=O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
TSHR P16473 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NR1H3 Q13133 7/20 0.39
NR1H2 P55055 6/20 0.39
VDR P11473 5/20 0.38
HDAC6 Q9UBN7 3/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ESR1 P03372 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
SCHEMBL5158953 0.91 HPGD (0.47) HPGDTSHRL3MBTL1MAPK1NPC1
SCHEMBL5155923 0.86 HPGD (0.41) HPGDTSHRL3MBTL1MAPK1NPC1
SCHEMBL5156782 0.82 VDR (0.43) VDRHDAC6ESR1
SCHEMBL5156802 0.82 HPGD (0.43) HPGDTSHRL3MBTL1MAPK1NPC1
SCHEMBL5153726 0.81 HDAC6 (0.46) VDRHDAC6ESR1
SCHEMBL5153917 0.81 HPGD (0.43) HPGDTSHRL3MBTL1MAPK1NPC1
SCHEMBL5157174 0.81 VDR (0.47) VDRHDAC6ESR1
SCHEMBL5158840 0.80 HDAC6 (0.46) VDRHDAC6
SCHEMBL5159564 0.80 HDAC6 (0.45) VDRHDAC6ESR1
SCHEMBL5156343 0.80 HPGD (0.45) HPGDTSHRL3MBTL1MAPK1NPC1

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 HPGD 526/4885TSHR 72/4885L3MBTL1 3533/4885

“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.