SCHEMBL798360

SCHEMBL798360

CC[C@H](C)C1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(C)[C@H](O)C3)CCC[C@]12C

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
VDR P11473 6/20 0.59
HDAC3 O15379 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL9009931 1.00 VDR (0.59) VDRHDAC3HDAC6
SCHEMBL19560766 0.90 VDR (0.63) VDRHDAC3HDAC6
SCHEMBL14357527 0.90 VDR (0.66) VDRHDAC3HDAC6
SCHEMBL14357530 0.90 VDR (0.66) VDRHDAC3HDAC6
SCHEMBL9009932 0.90 VDR (0.66) VDRHDAC3HDAC6
SCHEMBL805084 0.89 VDR (0.73) VDRHDAC3HDAC6
SCHEMBL12190406 0.89 VDR (0.65) VDRHDAC3HDAC6
SCHEMBL12190410 0.89 VDR (0.65) VDRHDAC3HDAC6
SCHEMBL22422512 0.89 VDR (0.65) VDRHDAC3HDAC6
SCHEMBL9009944 0.89 VDR (0.55) VDRHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120071562-A1 2alpha-Methyl-19-Nor-(20S)-1alpha-Hydroxy-Bishomopregnacalciferol and Its Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-03-22 US disclosed
US-20120071562-A1 2alpha-Methyl-19-Nor-(20S)-1alpha-Hydroxy-Bishomopregnacalciferol and Its Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-03-22 US disclosed
US-8093232-B2 2α-methyl-19-nor-(20S)-1α-hydroxy-bishomopregnacalciferol and its uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-01-10 US disclosed
US-8093232-B2 2α-methyl-19-nor-(20S)-1α-hydroxy-bishomopregnacalciferol and its uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-01-10 US disclosed
US-20070254857-A1 2Alpha-Methyl-19-Nor-(20S)-1Alpha-Hydroxy-Bishomopregnacalciferol and Its Uses WISCONSIN ALUMNI RESEARCH FOUNDATION, A NON-STOCK, NON-PROFIT WISCONSIN CORPORATION (US) 2007-11-01 US disclosed
US-20070254857-A1 2Alpha-Methyl-19-Nor-(20S)-1Alpha-Hydroxy-Bishomopregnacalciferol and Its Uses WISCONSIN ALUMNI RESEARCH FOUNDATION, A NON-STOCK, NON-PROFIT WISCONSIN CORPORATION (US) 2007-11-01 US disclosed
US-7241751-B2 2α-methyl-19-nor-(20S)-1α-hydroxy-bishomopregnacalciferol and its uses WISCONSIN ALUMI RESEARCH FOUNDATION (US) 2007-07-10 US disclosed
US-7241751-B2 2α-methyl-19-nor-(20S)-1α-hydroxy-bishomopregnacalciferol and its uses WISCONSIN ALUMI RESEARCH FOUNDATION (US) 2007-07-10 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-20120071562-A1 2alpha-Methyl-19-Nor-(20S)-1alpha-Hydroxy-Bishomopregnacalciferol and Its Uses CYP24A1, CYP27B1, CYP2R1 VDR 4/4885HDAC3 4092/4885HDAC6 4810/4885
US-20070254857-A1 2Alpha-Methyl-19-Nor-(20S)-1Alpha-Hydroxy-Bishomopregnacalciferol and Its Uses CYP24A1, CYP27B1, CYP2R1 VDR 4/4885HDAC3 4092/4885HDAC6 4810/4885

“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.