SCHEMBL26322255

SCHEMBL26322255

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)C[C@H](F)C3)CCC[C@]12C

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 12/20 0.88
MAPT P10636 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
NR1I2 O75469 1/20 0.69
ABCB11 O95342 1/20 0.69
GC P02774 1/20 0.69
PGR P06401 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
RXRA P19793 1/20 0.69
CHRM3 P20309 1/20 0.69
CNR1 P21554 1/20 0.69
SLC6A2 P23975 1/20 0.69
HTR2C P28335 1/20 0.69
MAPK1 P28482 1/20 0.69
AGTR1 P30556 1/20 0.69
SLC6A4 P31645 1/20 0.69
ADRA1A P35348 1/20 0.69
PTGS2 P35354 1/20 0.69
OPRD1 P41143 1/20 0.69
OPRK1 P41145 1/20 0.69

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
SCHEMBL26322289 1.00 VDR (0.88) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL14489107 0.94 VDR (1.00) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL13996344 0.94 VDR (1.00) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL3056435 0.94 VDR (1.00) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL12047912 0.94 VDR (1.00) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL19988205 0.94 VDR (1.00) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL19461421 0.86 VDR (0.82) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL10307541 0.86 VDR (0.82) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL14107778 0.86 VDR (1.00) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL10307536 0.86 VDR (0.82) VDRMAPTSMN1; SMN2NR1I2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278955-A1 VITAMIN D3 DERIVATIVES AND PHARMACEUTICAL USE THEREOF UNIV KYOTO (JP) 2023-09-07 US disclosed
US-20230278955-A1 VITAMIN D3 DERIVATIVES AND PHARMACEUTICAL USE THEREOF UNIV KYOTO (JP) 2023-09-07 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-20230278955-A1 VITAMIN D3 DERIVATIVES AND PHARMACEUTICAL USE THEREOF VDR, CYP24A1, CYP2R1 VDR 1/4885MAPT 4051/4885SMN1; SMN2 4583/4885

“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.