SCHEMBL805084

SCHEMBL805084

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

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VDR P11473 11/20 0.73
HDAC6 Q9UBN7 7/20 0.68
HDAC3 O15379 4/20 0.68
HDAC2 Q92769 3/20 0.67
CYP24A1 Q07973 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
SCHEMBL19560766 0.92 VDR (0.63) VDRHDAC6HDAC3HDAC2
SCHEMBL26756333 0.90 VDR (0.63) VDR
SCHEMBL1248608 0.90 VDR (0.70) VDRHDAC6HDAC3HDAC2CYP24A1
SCHEMBL1248611 0.90 VDR (0.70) VDRHDAC6HDAC3HDAC2CYP24A1
SCHEMBL14544644 0.90 VDR (0.70) VDRHDAC6HDAC3HDAC2CYP24A1
SCHEMBL14643170 0.89 VDR (0.80) VDRHDAC6HDAC3HDAC2
SCHEMBL798360 0.89 VDR (0.59) VDRHDAC6HDAC3
SCHEMBL9009931 0.89 VDR (0.59) VDRHDAC6HDAC3
Becocalcidiol SCHEMBL23752369 0.88 VDR (0.76) VDRCYP24A1
Becocalcidiol SCHEMBL9009928 0.88 VDR (0.76) VDRCYP24A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071562-A1 2alpha-Methyl-19-Nor-(20S)-1alpha-Hydroxy-Bishomopregnacalciferol and Its Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-03-22 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 (1 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 4/4885HDAC6 4810/4885HDAC3 4092/4885

“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.