SCHEMBL5565476

SCHEMBL5565476

CCC(O)(CC)COc1ccc(CCCc2ccc(CO)c(CO)c2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VDR P11473 9/20 0.51
HDAC3 O15379 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
FFAR4 Q5NUL3 8/20 0.37
FFAR1 O14842 5/20 0.37
HPGD P15428 1/20 0.37
FFAR2 O15552 1/20 0.34

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
SCHEMBL5564687 0.89 VDR (0.41) VDRHDAC3HDAC6FFAR4
SCHEMBL6385965 0.78 HPGD (0.40) VDRFFAR4FFAR1HPGD
SCHEMBL5569702 0.78 FFAR4 (0.48) FFAR4FFAR1HPGD
SCHEMBL5565459 0.77 VDR (0.53) VDRHDAC3HDAC6
SCHEMBL5570821 0.76 VDR (0.41) VDRHDAC3HDAC6FFAR4FFAR1
SCHEMBL5568696 0.74 FFAR4 (0.37) VDRFFAR4FFAR1HPGDFFAR2
SCHEMBL5564748 0.72 MAPT (0.39) FFAR4FFAR1HPGD
SCHEMBL6390211 0.71 PPARA (0.48) FFAR4FFAR1HPGD
SCHEMBL5569766 0.71 ESR1 (0.52) VDR
SCHEMBL5971611 0.71 VDR (0.48) VDRHDAC3HDAC6FFAR4FFAR1

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-7312249-B2 Vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-25 US claimed
US-20050182144-A1 Novel vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-08-18 US claimed
US-7312249-B2 Vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-25 US disclosed
EP-1537065-B1 ANALOGUES OF VITAMIN D GALDERMA RES & DEV (FR) 2006-11-02 EP disclosed
US-20050182144-A1 Novel vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-08-18 US disclosed
EP-1537065-A1 ANALOGUES OF VITAMIN D Galderma Research & Development, S.N.C. (FR) 2005-06-08 EP disclosed
WO-2004020379-A1 ANALOGUES OF VITAMIN D GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2004-03-11 WO 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-20050182144-A1 Novel vitamin D analogues CYP24A1, CYP2R1, VDR VDR 3/4885HDAC3 2976/4885HDAC6 3568/4885

“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.