SCHEMBL5681059

SCHEMBL5681059

C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(=O)c4cc(C)cs4)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 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 10/20 0.50
▸ MAPT P10636 3/20 0.50
▸ ADORA3 P0DMS8 2/20 0.50
▸ SLC6A2 P23975 2/20 0.50
▸ AGTR1 P30556 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NR1I2 O75469 1/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ GC P02774 1/20 0.50
▸ PGR P06401 1/20 0.50
▸ RXRA P19793 1/20 0.50
▸ CHRM3 P20309 1/20 0.50
▸ CNR1 P21554 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ OPRK1 P41145 1/20 0.50

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
SCHEMBL7570289 1.00 VDR (0.50) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL7574416 0.96 VDR (0.47) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL5682514 0.96 VDR (0.47) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL7574410 0.96 VDR (0.47) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL5685282 0.89 VDR (0.51) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL7569253 0.89 VDR (0.51) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL5685238 0.89 VDR (0.52) VDR
SCHEMBL5682384 0.89 VDR (0.50) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL5682417 0.88 VDR (0.46) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL5684965 0.87 VDR (0.48) 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-7115758-B2 Vitamin D derivatives with cyclic substructures in the side chains, process and intermediate products for their production, and the use for the production of pharmaceutical agents SCHERING AG (DE) 2006-10-03 — — US disclosed
EP-1210327-B1 NEW VITAMIN D DERIVATIVES WITH CYCLIC SUBSTRUCTURES IN THE SIDE CHAINS, METHOD AND INTERMEDIATES FOR THEIR PRODUCTION AND THEIR USE IN THE PREPARATION OF MEDICAMENTS SCHERING AG (DE) 2006-01-18 — — EP disclosed
EP-1362848-A1 Process for the preparation of vitamin D derivatives Schering Aktiengesellschaft (DE) 2003-11-19 — — EP disclosed
US-20030149006-A1 New vitamin D derivatives with cyclic substructures in the side chains, process and intermediate products for their production, and the use for the production of pharmaceutical agents STEINMEYER ANDREAS (US) 2003-08-07 — — US disclosed
US-6603031-B1 Active metabolites of vitamin D2 and vitamin D3 and their synthetic derivatives have a proliferation- inhibiting and differentiation-stimulating action on tumor cells and normal cells, SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-05 — — 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-20030149006-A1 New vitamin D derivatives with cyclic substructures in the side chains, process and intermediate products for their production, and the use for the production of pharmaceutical agents CYP24A1, CYP2R1, VDR VDR 3/4885MAPT 4518/4885ADORA3 654/4885

“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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