SCHEMBL16747398

SCHEMBL16747398

CC[Si](CC)(CC)OC(C)(C)CCCCCc1cccc(/C(=C/[Si](C)(C)C)CCCCCC(C)(C)OCOC)c1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VDR P11473 7/20 0.38
CYP24A1 Q07973 1/20 0.38
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL16747544 0.90 VDR (0.38) VDRCYP24A1CYP4F2CYP4A11
SCHEMBL16747533 0.90 VDR (0.45) VDRCYP24A1
SCHEMBL16747496 0.90 VDR (0.45) VDRCYP24A1
SCHEMBL16747384 0.89 VDR (0.45) VDRCYP24A1
SCHEMBL16747519 0.88 VDR (0.43) VDRCYP24A1CYP4F2CYP4A11
SCHEMBL16747380 0.88 VDR (0.44) VDRCYP24A1CYP4F2CYP4A11
SCHEMBL16747545 0.86 VDR (0.34) VDRCYP24A1
SCHEMBL16747497 0.86 VDR (0.42) VDRCYP24A1CYP4F2CYP4A11
SCHEMBL16747508 0.85 VDR (0.41) VDRCYP24A1CYP4F2CYP4A11
SCHEMBL16747445 0.79 VDR (0.46) VDRCYP24A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663429-B2 Vitamin D analogues of pharmaceutical interest UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2017-05-30 US disclosed
US-20160297731-A1 VITAMIN D ANALOGUES OF PHARMACEUTICAL INTEREST UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2016-10-13 US disclosed
EP-3072873-A1 VITAMIN D ANALOGUES OF PHARMACEUTICAL INTEREST Universidade De Santiago De Compostela (ES) 2016-09-28 EP disclosed
WO-2015075291-A1 VITAMIN D ANALOGUES OF PHARMACEUTICAL INTEREST UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2015-05-28 WO 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-20160297731-A1 VITAMIN D ANALOGUES OF PHARMACEUTICAL INTEREST CYP24A1, VDR, CYP2R1 VDR 2/4885CYP24A1 1/4885CYP4F2 75/4885

“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.