SCHEMBL26756751

SCHEMBL26756751

C[C@@H]1C/C(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CC=O)CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 9/20 0.50
▸ HDAC6 Q9UBN7 3/20 0.46
▸ HDAC3 O15379 2/20 0.46
▸ HDAC2 Q92769 1/20 0.45

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
SCHEMBL25894696 0.95 VDR (0.53) VDRHDAC6HDAC3HDAC2
SCHEMBL25410119 0.95 VDR (0.53) VDRHDAC6HDAC3HDAC2
SCHEMBL25894630 0.95 VDR (0.53) VDRHDAC6HDAC3HDAC2
SCHEMBL25410122 0.95 VDR (0.53) VDRHDAC6HDAC3HDAC2
SCHEMBL13531897 0.91 VDR (0.55) VDRHDAC6HDAC3HDAC2
SCHEMBL12398139 0.91 VDR (0.53) VDR
SCHEMBL13531902 0.91 VDR (0.54) VDRHDAC6HDAC3HDAC2
SCHEMBL12397972 0.90 VDR (0.50) VDR
SCHEMBL12398151 0.90 VDR (0.45) VDRHDAC6HDAC3HDAC2
SCHEMBL13531896 0.87 VDR (0.57) 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-20230348376-A1 VITAMIN D DERIVATIVE HAVING CYCLIC AMINE IN SIDE CHAIN TEIJIN PHARMA LIMITED (JP) 2023-11-02 — — 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-20230348376-A1 VITAMIN D DERIVATIVE HAVING CYCLIC AMINE IN SIDE CHAIN VDR, CYP2R1, CYP24A1 VDR 1/4885HDAC6 1101/4885HDAC3 371/4885

“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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