SCHEMBL5685232

SCHEMBL5685232

C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(OC(C)=O)c4cccs4)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 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 7/20 0.47
▸ MAPT P10636 5/20 0.46
▸ ADORA3 P0DMS8 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ AGTR1 P30556 2/20 0.46
▸ PGR P06401 2/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ GC P02774 1/20 0.46
▸ RXRA P19793 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ OPRK1 P41145 1/20 0.46

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
SCHEMBL7567066 0.91 VDR (0.51) VDRMAPTADORA3SMN1; SMN2SLC6A2
SCHEMBL5685116 0.91 VDR (0.51) VDRMAPTADORA3SMN1; SMN2SLC6A2
SCHEMBL5682417 0.90 VDR (0.46) VDRMAPTADORA3SMN1; SMN2SLC6A2
SCHEMBL5681016 0.90 VDR (0.48) VDR
SCHEMBL5681036 0.89 VDR (0.47) VDRMAPTADORA3SMN1; SMN2SLC6A2
SCHEMBL5682392 0.89 VDR (0.47) VDRMAPTADORA3SMN1; SMN2SLC6A2
SCHEMBL5682678 0.88 VDR (0.48) VDRMAPTADORA3SMN1; SMN2SLC6A2
SCHEMBL5681033 0.88 VDR (0.46) VDRMAPTADORA3SMN1; SMN2SLC6A2
SCHEMBL5682377 0.86 VDR (0.47) VDRMAPTADORA3SMN1; SMN2SLC6A2
SCHEMBL7568252 0.86 VDR (0.47) VDRMAPTADORA3SMN1; SMN2SLC6A2

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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