SCHEMBL1379337

SCHEMBL1379337

[C]#CC(O)(CC)C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3272900 0.77 TSHR (0.33) TSHRTDP1
SCHEMBL8980426 0.72 TSHR (0.30) TSHRTDP1
SCHEMBL1382755 0.71
SCHEMBL12778836 0.70
SCHEMBL1381436 0.67
SCHEMBL4478986 0.65
SCHEMBL329576 0.64
SCHEMBL3551592 0.63
SCHEMBL3170209 0.63
Amylene Hydrate SCHEMBL10721 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4717006-B2 2011-07-06 JP claimed
JP-4717005-B2 2011-07-06 JP claimed
EP-1687292-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-22 EP claimed
US-20070149810-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY (US) 2007-06-28 US claimed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US claimed
US-20060293385-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY, AN INDIANA CORPORATION 2006-12-28 US claimed
EP-1687292-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-08-09 EP claimed
EP-1687289-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-08-09 EP claimed
EP-1687265-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-08-09 EP claimed
US-20060094778-A1 Vesicant treatment with phenyl-phenyl type vitamin d receptor modulators ELI LILLY AND COMPANY, AN INDIANA CORPORATION 2006-05-04 US claimed
EP-1587906-A2 VESICANT TREATMENT WITH PHENYL-PHENYL TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-26 EP claimed
EP-1565422-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-08-24 EP claimed
WO-2005051898-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-09 WO claimed
WO-2005051940-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-09 WO claimed
WO-2005051938-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-09 WO claimed
WO-2004063345-A2 VESICANT TREATMENT WITH PHENYL-PHENYL TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO claimed
WO-2004048309-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-10 WO claimed
US-7897789-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-03-01 US 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-20060293385-A1 Vitamin d receptor modulators VDR, CYP24A1, CYP2R1 TSHR 314/4885TDP1 4789/4885
US-20070106095-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 TSHR 602/4885TDP1 4642/4885
US-20070149810-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 TSHR 387/4885TDP1 4642/4885
US-20060094778-A1 Vesicant treatment with phenyl-phenyl type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 TSHR 1436/4885TDP1 3086/4885

“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.