SCHEMBL3851708

SCHEMBL3851708

CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1cc2ccc(OS(=O)(=O)C(F)(F)F)cc2o1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
VDR P11473 16/20 0.55
AR P10275 5/20 0.47
HSD11B1 P28845 1/20 0.45

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
SCHEMBL3850209 0.91 VDR (0.57) VDRAR
SCHEMBL13741487 0.85 VDR (0.59) VDRAR
SCHEMBL3852833 0.84 VDR (0.55) VDRAR
SCHEMBL15059326 0.84 VDR (0.72) VDRAR
SCHEMBL3861355 0.84 VDR (0.57) VDRAR
SCHEMBL3853250 0.83 VDR (0.61) VDRAR
SCHEMBL3852160 0.83 VDR (0.64) VDRAR
SCHEMBL1525070 0.82 VDR (0.75) VDRAR
SCHEMBL3850804 0.80 VDR (0.59) VDRAR
SCHEMBL2082529 0.80 VDR (0.56) VDRAR

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-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
US-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
US-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1687289-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-08-09 EP disclosed
WO-2005051938-A1 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-20070106095-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 VDR 1/4885AR 437/4885HSD11B1 170/4885

“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.