SCHEMBL1779520

SCHEMBL1779520

CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc2ccc(C(=O)O)cc2c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VDR P11473 16/20 0.73
AR P10275 5/20 0.60
HDAC3 O15379 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL1778007 0.97 VDR (0.75) VDRARHDAC3HDAC6
SCHEMBL2965724 0.90 VDR (0.82) VDRARHDAC3HDAC6
SCHEMBL1779173 0.89 VDR (0.70) VDRARHDAC3HDAC6
SCHEMBL1779694 0.87 VDR (0.73) VDRARHDAC3HDAC6
SCHEMBL1778744 0.86 VDR (0.72) VDRARHDAC3HDAC6
SCHEMBL7181681 0.86 VDR (1.00) VDRARHDAC3HDAC6
SCHEMBL29754394 0.86 VDR (1.00) VDRARHDAC3HDAC6
SCHEMBL2969725 0.85 VDR (0.82) VDRARHDAC3HDAC6
SCHEMBL1776852 0.85 VDR (0.70) VDRARHDAC3HDAC6
SCHEMBL2082197 0.84 VDR (0.63) VDRARHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943795-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-05-17 US disclosed
US-7943795-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-05-17 US disclosed
US-7943795-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-05-17 US disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 US disclosed
EP-1836151-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-04-01 EP disclosed
EP-1836151-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-04-01 EP disclosed
EP-1836151-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2007-09-26 EP disclosed
WO-2006069153-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-06-29 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-20090234001-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP2R1, CYP24A1 VDR 1/4885AR 95/4885HDAC3 809/4885

“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.