SCHEMBL5569788

SCHEMBL5569788

CCc1cc(C(CC)(CC)COc2ccc(CO)c(CO)c2)ccc1OCC(O)C(C(F)(F)F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VDR P11473 11/20 0.36
PPARD Q03181 5/20 0.31
PPARG P37231 4/20 0.31
PPARA Q07869 4/20 0.31
AR P10275 6/20 0.30
HDAC3 O15379 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CETP P11597 1/20 0.30

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
SCHEMBL5569388 0.90 VDR (0.37) VDRPPARDPPARGPPARAAR
SCHEMBL5565396 0.89 VDR (0.38) VDRARHDAC3HDAC6
SCHEMBL5565483 0.85 VDR (0.47) VDRARHDAC3HDAC6
SCHEMBL5564865 0.85 VDR (0.38) VDRPPARDPPARGPPARAHDAC3
SCHEMBL5565806 0.83 VDR (0.35) VDR
SCHEMBL5569731 0.80 VDR (0.45) VDRARHDAC3HDAC6
SCHEMBL5565720 0.79 VDR (0.35) VDR
SCHEMBL5565712 0.79 VDR (0.35) VDR
SCHEMBL5569496 0.79 VDR (0.39) VDRPPARDPPARGPPARACETP
SCHEMBL5569570 0.77 VDR (0.36) VDRPPARDPPARGPPARAHDAC3

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 4 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
US-20050182144-A1 Novel vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-08-18 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-20050182144-A1 Novel vitamin D analogues CYP24A1, CYP2R1, VDR VDR 3/4885PPARD 31/4885PPARG 57/4885

“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.