SCHEMBL9009944

SCHEMBL9009944

CC1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H](C(C)C)CC[C@@H]23)C[C@H]1O

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
VDR P11473 6/20 0.55
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL798360 0.89 VDR (0.59) VDRHDAC6
SCHEMBL9009931 0.89 VDR (0.59) VDRHDAC6
SCHEMBL14544644 0.87 VDR (0.70) VDRHDAC6
SCHEMBL1248611 0.87 VDR (0.70) VDRHDAC6
SCHEMBL1248608 0.87 VDR (0.70) VDRHDAC6
SCHEMBL12513364 0.86 VDR (0.67) VDR
SCHEMBL12513363 0.86 VDR (0.67) VDR
SCHEMBL13824922 0.85 VDR (0.66) VDR
SCHEMBL13824927 0.85 VDR (0.66) VDR
SCHEMBL13824838 0.85 VDR (0.66) VDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399438-B2 2α-methyl-19-nor-1α-hydroxy-homopregnacalciferol and its uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-03-19 US disclosed
US-8399438-B2 2α-methyl-19-nor-1α-hydroxy-homopregnacalciferol and its uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-03-19 US disclosed
US-8188064-B2 Reducing cell differentiation of adipocyte; reducing body fat WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-05-29 US disclosed
US-8188064-B2 Reducing cell differentiation of adipocyte; reducing body fat WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-05-29 US disclosed
US-7745404-B2 Use of calcitonin and calcitonin-like peptides to treat and prevent multiple sclerosis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-06-29 US disclosed
US-7745404-B2 Use of calcitonin and calcitonin-like peptides to treat and prevent multiple sclerosis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-06-29 US disclosed
US-7566696-B2 Use of calcitonin and calcitonin-like peptides to treat and prevent multiple sclerosis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-07-28 US disclosed
US-7566696-B2 Use of calcitonin and calcitonin-like peptides to treat and prevent multiple sclerosis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-07-28 US disclosed
US-20080146491-A1 USE OF CALCITONIN AND CALCITONIN-LIKE PEPTIDES TO TREAT AND PREVENT MULTIPLE SCLEROSIS DELUCA HECTOR F 2008-06-19 US disclosed
US-20080146491-A1 USE OF CALCITONIN AND CALCITONIN-LIKE PEPTIDES TO TREAT AND PREVENT MULTIPLE SCLEROSIS DELUCA HECTOR F 2008-06-19 US disclosed
US-20070105774-A1 Administering an appropriate dosage schedule of a bone calcium resorption inhibitor like alendronate and a toxic dose of a vitamin D compounds like 1, alpha 25-dihydroxyvitamin D3 without developing hypercalcemia WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-05-10 US disclosed
US-20070105774-A1 Administering an appropriate dosage schedule of a bone calcium resorption inhibitor like alendronate and a toxic dose of a vitamin D compounds like 1, alpha 25-dihydroxyvitamin D3 without developing hypercalcemia WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-05-10 US 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 (2 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-20070105774-A1 Administering an appropriate dosage schedule of a bone calcium resorption inhibitor like alendronate and a toxic dose of a vitamin D compounds like 1, alpha 25-dihydroxyvitamin D3 without developing hypercalcemia CALCA, CALCRL, CYP24A1 VDR 7/4885HDAC6 3948/4885
US-20080146491-A1 USE OF CALCITONIN AND CALCITONIN-LIKE PEPTIDES TO TREAT AND PREVENT MULTIPLE SCLEROSIS CALCA, CALCB, CALCRL VDR 5/4885HDAC6 3750/4885

“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.