SCHEMBL14543368

SCHEMBL14543368

C[C@H](/C=C/CC(C)(C)O)[C@H]1CCC2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 9/20 0.69
▸ HDAC3 O15379 2/20 0.58
▸ HDAC6 Q9UBN7 2/20 0.58
▸ HDAC2 Q92769 1/20 0.58

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
SCHEMBL12060508 1.00 VDR (0.69) VDRHDAC3HDAC6HDAC2
SCHEMBL14107792 0.91 VDR (0.70) VDR
SCHEMBL9010457 0.90 VDR (0.69) VDR
SCHEMBL12712505 0.90 VDR (0.69) VDR
Paricalcitol SCHEMBL25447329 0.88 VDR (0.68) VDRHDAC3HDAC6HDAC2
Paricalcitol SCHEMBL17354891 0.88 VDR (0.68) VDRHDAC3HDAC6HDAC2
Paricalcitol SCHEMBL12397908 0.88 VDR (0.68) VDRHDAC3HDAC6HDAC2
Paricalcitol SCHEMBL14491013 0.88 VDR (0.68) VDRHDAC3HDAC6HDAC2
Paricalcitol SCHEMBL21836180 0.88 VDR (0.68) VDRHDAC3HDAC6HDAC2
Paricalcitol SCHEMBL6945983 0.88 VDR (0.68) VDRHDAC3HDAC6HDAC2

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-20070093458-A1 Preparation of paricalcitol and crystalline forms thereof TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2007-04-26 — — 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-20070093458-A1 Preparation of paricalcitol and crystalline forms thereof PTH1R, CYP24A1, CYP2R1 VDR 4/4885HDAC3 4357/4885HDAC6 4220/4885

“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.

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