SCHEMBL25313435

SCHEMBL25313435

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 16/20 0.54
MAPT P10636 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
SLC6A2 P23975 2/20 0.53
AGTR1 P30556 2/20 0.53
NR1I2 O75469 1/20 0.53
ABCB11 O95342 1/20 0.53
GC P02774 1/20 0.53
PGR P06401 1/20 0.53
RXRA P19793 1/20 0.53
CHRM3 P20309 1/20 0.53
CNR1 P21554 1/20 0.53
HTR2C P28335 1/20 0.53
MAPK1 P28482 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
PTGS2 P35354 1/20 0.53
OPRD1 P41143 1/20 0.53
OPRK1 P41145 1/20 0.53
SLC6A3 Q01959 1/20 0.53

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
SCHEMBL8091700 1.00 VDR (0.54) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL25313440 1.00 VDR (0.54) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL8776002 0.93 VDR (0.53) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL12408062 0.93 VDR (0.51) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL5681072 0.93 VDR (0.51) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL13867357 0.92 VDR (0.51) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL8775919 0.92 VDR (0.54) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL23464255 0.92 VDR (0.49) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL8371980 0.92 VDR (0.49) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL5681026 0.91 VDR (0.54) VDRMAPTADORA3SLC6A2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250195488-A1 MEDICINE CONTAINING VITAMIN D DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT OR SOLVATE THEREOF, USED IN COMBINATION WITH IMMUNOMODULATORY SUBSTANCE TEIJIN PHARMA LIMITED (JP) 2025-06-19 US disclosed
EP-4491185-A1 MEDICINE CONTAINING VITAMIN D DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT OR SOLVATE THEREOF, USED IN COMBINATION WITH IMMUNOMODULATORY SUBSTANCE Teijin Pharma Limited (JP) 2025-01-15 EP disclosed
US-20230348376-A1 VITAMIN D DERIVATIVE HAVING CYCLIC AMINE IN SIDE CHAIN TEIJIN PHARMA LIMITED (JP) 2023-11-02 US disclosed
WO-2023171736-A1 MEDICINE CONTAINING VITAMIN D DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT OR SOLVATE THEREOF, USED IN COMBINATION WITH IMMUNOMODULATORY SUBSTANCE 帝人ファーマ株式会社 2023-09-14 WO disclosed
EP-4215519-A1 VITAMIN D DERIVATIVE HAVING CYCLIC AMINE IN SIDE CHAIN Teijin Pharma Limited (JP) 2023-07-26 EP 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 (2 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-20250195488-A1 MEDICINE CONTAINING VITAMIN D DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT OR SOLVATE THEREOF, USED IN COMBINATION WITH IMMUNOMODULATORY SUBSTANCE VDR, CYP24A1, AQP4 VDR 1/4885MAPT 1190/4885ADORA3 2040/4885
US-20230348376-A1 VITAMIN D DERIVATIVE HAVING CYCLIC AMINE IN SIDE CHAIN VDR, CYP2R1, CYP24A1 VDR 1/4885MAPT 908/4885ADORA3 122/4885

“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.