SCHEMBL5576778

SCHEMBL5576778

C[C@@H](CCC[C@@H](O)c1nccs1)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 8/20 0.65
▸ HDAC6 Q9UBN7 7/20 0.61
▸ HDAC3 O15379 4/20 0.61
▸ HDAC2 Q92769 3/20 0.60

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
SCHEMBL5576229 1.00 VDR (0.65) VDRHDAC6HDAC3HDAC2
SCHEMBL5573974 1.00 VDR (0.65) VDRHDAC6HDAC3HDAC2
SCHEMBL5572938 0.92 VDR (0.63) VDRHDAC6HDAC3HDAC2
SCHEMBL5574006 0.92 VDR (0.63) VDRHDAC6HDAC3HDAC2
SCHEMBL5576754 0.91 VDR (0.55) VDRHDAC6HDAC3HDAC2
SCHEMBL5573986 0.88 ADORA3 (0.73) VDR
SCHEMBL5685242 0.88 ADORA3 (0.73) VDR
SCHEMBL5576643 0.88 ADORA3 (0.73) VDR
SCHEMBL5572984 0.88 ADORA3 (0.73) VDR
SCHEMBL5685297 0.87 VDR (0.53) VDR

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 10 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 claimed
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 claimed
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 claimed
US-20070093448-A1 Complexes that consist of vitamin D compounds or analogs thereof with a 5Z,7E,10(19)-triene system and methylated derivatives of beta-cyclodextrin SCHERING AG (DE) 2007-04-26 — — US disclosed
WO-2006108373-A1 COMPLEXES CONSISTING OF VITAMIN D-COMPOUNDS OR ANALOGUES THEREOF HAVING A 5Z,7E,10(19)-TRIENE SYSTEM AND METHYLATED DERIVATIVES OF ß-CYCLODEXTRIN BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-19 — — WO disclosed
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 (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-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 3/4885HDAC6 3613/4885HDAC3 2650/4885
US-20070093448-A1 Complexes that consist of vitamin D compounds or analogs thereof with a 5Z,7E,10(19)-triene system and methylated derivatives of beta-cyclodextrin VDR, CYP24A1, CYP2R1 VDR 1/4885HDAC6 2080/4885HDAC3 527/4885

“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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