SCHEMBL14643170

SCHEMBL14643170

CCCC[C@H](C)C1CCC2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VDR P11473 9/20 0.80
HDAC6 Q9UBN7 7/20 0.75
HDAC3 O15379 4/20 0.75
HDAC2 Q92769 3/20 0.73

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
SCHEMBL19988246 0.92 VDR (0.80) VDRHDAC6HDAC3HDAC2
SCHEMBL13859925 0.92 VDR (0.80) VDRHDAC6HDAC3HDAC2
SCHEMBL14261171 0.91 VDR (0.79) VDRHDAC6HDAC3HDAC2
SCHEMBL13644207 0.91 VDR (0.79) VDRHDAC6HDAC3HDAC2
SCHEMBL13644205 0.91 VDR (0.79) VDRHDAC6HDAC3HDAC2
SCHEMBL13644209 0.91 VDR (0.79) VDRHDAC6HDAC3HDAC2
SCHEMBL9009932 0.90 VDR (0.66) VDRHDAC6HDAC3HDAC2
SCHEMBL14357527 0.90 VDR (0.66) VDRHDAC6HDAC3HDAC2
SCHEMBL14357530 0.90 VDR (0.66) VDRHDAC6HDAC3HDAC2
SCHEMBL805084 0.89 VDR (0.73) VDRHDAC6HDAC3HDAC2

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-20130018021-A1 2Alpha-Methyl and 2Beta-Methyl Analogs of 19,26,27-Trinor-(20S)-1Alpha-Hydroxyvitamin D3 and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-17 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-20130018021-A1 2Alpha-Methyl and 2Beta-Methyl Analogs of 19,26,27-Trinor-(20S)-1Alpha-Hydroxyvitamin D3 and Their Uses CYP24A1, CYP27B1, CD14 VDR 4/4885HDAC6 4390/4885HDAC3 2374/4885

“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.