SCHEMBL2942932

SCHEMBL2942932

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

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VDR P11473 11/20 0.65
AR P10275 4/20 0.65
HDAC6 Q9UBN7 8/20 0.62
HDAC3 O15379 3/20 0.62
HDAC1 Q13547 1/20 0.62

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
SCHEMBL2943185 0.93 VDR (0.56) VDRARHDAC6HDAC3HDAC1
SCHEMBL13236499 0.93 VDR (0.56) VDRARHDAC6HDAC3HDAC1
SCHEMBL2951040 0.87 VDR (0.69) VDRARHDAC6HDAC3HDAC1
SCHEMBL2942499 0.87 VDR (0.69) VDRARHDAC6HDAC3HDAC1
SCHEMBL13236433 0.87 VDR (0.69) VDRARHDAC6HDAC3HDAC1
SCHEMBL13236423 0.87 VDR (0.69) VDRARHDAC6HDAC3HDAC1
SCHEMBL5156341 0.84 HDAC6 (0.52) VDRARHDAC6HDAC3HDAC1
SCHEMBL2951405 0.83 HDAC6 (0.52) VDRARHDAC6HDAC3HDAC1
SCHEMBL13236487 0.83 HDAC6 (0.52) VDRARHDAC6HDAC3HDAC1
SCHEMBL15076968 0.82 VDR (0.75) VDRARHDAC6HDAC3HDAC1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772425-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-08-10 US disclosed
US-7772425-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-08-10 US disclosed
US-7772425-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-08-10 US disclosed
US-7750184-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
US-7750184-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
US-7750184-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
US-20090227604-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
US-20090227604-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
US-20090227604-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
US-7566803-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-07-28 US disclosed
US-20090018058-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (US) 2009-01-15 US disclosed
US-20090018058-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (US) 2009-01-15 US disclosed
US-20060293385-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY, AN INDIANA CORPORATION 2006-12-28 US disclosed
EP-1687265-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-08-09 EP disclosed
US-20060094778-A1 Vesicant treatment with phenyl-phenyl type vitamin d receptor modulators ELI LILLY AND COMPANY, AN INDIANA CORPORATION 2006-05-04 US disclosed
EP-1587906-A2 VESICANT TREATMENT WITH PHENYL-PHENYL TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-26 EP disclosed
EP-1565422-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-08-24 EP disclosed
WO-2005051898-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-09 WO disclosed
WO-2004063345-A2 VESICANT TREATMENT WITH PHENYL-PHENYL TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2004048309-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-10 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 (4 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-20090227604-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP24A1, CYP2R1 VDR 1/4885AR 719/4885HDAC6 4639/4885
US-20090018058-A1 Vitamin D Receptor Modulators VDR, CYP2R1, CYP24A1 VDR 1/4885AR 560/4885HDAC6 4137/4885
US-20060293385-A1 Vitamin d receptor modulators VDR, CYP24A1, CYP2R1 VDR 1/4885AR 535/4885HDAC6 4192/4885
US-20060094778-A1 Vesicant treatment with phenyl-phenyl type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 VDR 1/4885AR 177/4885HDAC6 4452/4885

“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.