SCHEMBL18269405

SCHEMBL18269405

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

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 12/20 0.76
▸ HDAC6 Q9UBN7 5/20 0.64
▸ HDAC3 O15379 3/20 0.64
▸ HDAC2 Q92769 2/20 0.63

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
SCHEMBL18269408 1.00 VDR (0.76) VDRHDAC6HDAC3HDAC2
SCHEMBL18269404 0.94 VDR (0.78) VDRHDAC6HDAC3HDAC2
SCHEMBL16743044 0.94 VDR (0.78) VDRHDAC6HDAC3HDAC2
SCHEMBL22394317 0.94 VDR (0.78) VDRHDAC6HDAC3HDAC2
SCHEMBL22394318 0.94 VDR (0.78) VDRHDAC6HDAC3HDAC2
SCHEMBL18269397 0.94 VDR (0.78) VDRHDAC6HDAC3HDAC2
SCHEMBL22394315 0.90 VDR (0.76) VDRHDAC6HDAC3HDAC2
SCHEMBL18269402 0.90 VDR (0.76) VDR
SCHEMBL18269409 0.90 VDR (0.76) VDR
SCHEMBL22416531 0.87 VDR (0.62) VDR

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-20160347710-A1 1-ALPHA,25-DIHYDROXY-24,24-DIFLUORO-19-NOR-VITAMIN D3 ANALOGS AND THEIR PHARMACEUTICAL USES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-12-01 — — 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-20160347710-A1 1-ALPHA,25-DIHYDROXY-24,24-DIFLUORO-19-NOR-VITAMIN D3 ANALOGS AND THEIR PHARMACEUTICAL USES CYP24A1, VDR, CYP2R1 VDR 2/4885HDAC6 3565/4885HDAC3 2499/4885

“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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