SCHEMBL5576777

SCHEMBL5576777

C[C@H](CCCC(=O)c1ccc(C(F)(F)F)cc1)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 15/20 0.69
▸ HDAC6 Q9UBN7 8/20 0.69
▸ HDAC3 O15379 4/20 0.69
▸ HDAC2 Q92769 3/20 0.65
▸ CYP24A1 Q07973 1/20 0.58

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
SCHEMBL5576766 0.90 VDR (0.73) VDRHDAC6HDAC3HDAC2CYP24A1
SCHEMBL5576236 0.88 VDR (0.70) VDRHDAC6HDAC3HDAC2CYP24A1
SCHEMBL5682407 0.87 VDR (0.59) VDRHDAC6HDAC3HDAC2
SCHEMBL5575667 0.85 VDR (0.64) VDRHDAC6HDAC3HDAC2CYP24A1
SCHEMBL13532024 0.84 HDAC6 (0.81) VDRHDAC6HDAC3HDAC2CYP24A1
SCHEMBL13531885 0.84 HDAC6 (0.81) VDRHDAC6HDAC3HDAC2
SCHEMBL5576752 0.83 HDAC6 (0.70) VDRHDAC6HDAC3HDAC2CYP24A1
SCHEMBL8225164 0.81 HDAC6 (1.00) VDRHDAC6HDAC3HDAC2
SCHEMBL8014789 0.81 HDAC6 (1.00) VDRHDAC6HDAC3HDAC2
SCHEMBL13531887 0.81 VDR (0.82) VDRHDAC6HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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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