SCHEMBL2978660

SCHEMBL2978660

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VDR P11473 10/20 0.57
HDAC3 O15379 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
FFAR4 Q5NUL3 4/20 0.52
MRGPRX4 Q96LA9 1/20 0.48
AR P10275 4/20 0.47
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL2963675 0.87 FFAR4 (0.52) VDRHDAC3HDAC6FFAR4MRGPRX4
SCHEMBL13221337 0.84 VDR (0.60) VDRHDAC3HDAC6AR
SCHEMBL3395328 0.83 HDAC3 (0.56) VDRHDAC3HDAC6FFAR4MRGPRX4
SCHEMBL2971918 0.82 VDR (0.52) VDRFFAR4MRGPRX4AR
SCHEMBL13203616 0.81 VDR (0.75) VDRHDAC3HDAC6AR
SCHEMBL5157239 0.80 VDR (0.75) VDRHDAC3HDAC6AR
SCHEMBL5157224 0.80 VDR (0.75) VDRHDAC3HDAC6AR
SCHEMBL5157233 0.80 VDR (0.75) VDRHDAC3HDAC6AR
SCHEMBL15059709 0.80 VDR (0.72) VDRHDAC6AR
SCHEMBL4507201 0.79 VDR (0.60) VDRHDAC3HDAC6FFAR4MRGPRX4

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 9 patents. 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-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-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-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 (3 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 1/4885HDAC3 2546/4885HDAC6 4639/4885
US-20090018058-A1 Vitamin D Receptor Modulators VDR, CYP2R1, CYP24A1 VDR 1/4885HDAC3 1685/4885HDAC6 4137/4885
US-20060094778-A1 Vesicant treatment with phenyl-phenyl type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 VDR 1/4885HDAC3 2892/4885HDAC6 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.