SCHEMBL4494748

SCHEMBL4494748

CCC(CC)(c1ccc(OCc2ccccc2)c(C)c1)c1ccc(OCC(O)(C(C)C)C(C)C)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VDR P11473 15/20 0.50
HDAC3 O15379 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
FFAR4 Q5NUL3 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
AR P10275 1/20 0.42

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
SCHEMBL4507542 0.86 VDR (0.62) VDRHDAC3HDAC6FFAR4MRGPRX4
SCHEMBL4498354 0.83 ESR1 (0.58) VDRHDAC3HDAC6AR
SCHEMBL4507970 0.82 VDR (0.49) VDRFFAR4MRGPRX4
SCHEMBL2972327 0.81 ESR1 (0.59) VDRFFAR4MRGPRX4AR
SCHEMBL4501881 0.81 HDAC6 (0.51) VDRHDAC3HDAC6AR
SCHEMBL4504614 0.81 FFAR4 (0.48) VDRHDAC3HDAC6FFAR4MRGPRX4
SCHEMBL4492255 0.80 VDR (0.55) VDRHDAC3HDAC6FFAR4MRGPRX4
SCHEMBL15059029 0.80 VDR (0.51) VDRHDAC6AR
SCHEMBL4507972 0.80 VDR (0.52) VDRHDAC3HDAC6FFAR4
SCHEMBL20059953 0.79 FFAR4 (0.53) VDRFFAR4MRGPRX4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595345-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595345-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595345-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-20080200552-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (IN) 2008-08-21 US disclosed
US-20080200552-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (IN) 2008-08-21 US disclosed
US-20080200552-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (IN) 2008-08-21 US disclosed
EP-1687258-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-08-09 EP disclosed
WO-2005051893-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-09 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-20080200552-A1 Vitamin D Receptor Modulators VDR, CYP2R1, CYP24A1 VDR 1/4885HDAC3 1756/4885HDAC6 4464/4885

“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.