SCHEMBL18269409

SCHEMBL18269409

C=C1[C@H](O)CC(=C/C=C2\CCC[C@@]3(C)C2CCC3[C@@H](C)CCC(F)(F)C(C)(C)C)C[C@H]1O

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 3/20 0.76
▸ CYP24A1 Q07973 1/20 0.67

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
SCHEMBL18269402 1.00 VDR (0.76) VDRCYP24A1
SCHEMBL19288334 0.95 VDR (0.69) VDRCYP24A1
SCHEMBL18269403 0.94 VDR (0.78) VDR
SCHEMBL22394316 0.94 VDR (0.78) VDR
SCHEMBL19288065 0.94 VDR (0.78) VDR
SCHEMBL16417822 0.94 VDR (0.78) VDR
SCHEMBL18269396 0.94 VDR (0.78) VDR
SCHEMBL22394324 0.94 VDR (0.78) VDR
SCHEMBL19288069 0.93 VDR (0.76) VDRCYP24A1
SCHEMBL22416531 0.90 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 2/4885CYP24A1 1/4885

“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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