SCHEMBL2890399

SCHEMBL2890399

CCCc1cc(C(O)(CC)CC)ccc1-c1cc(OCc2ccc(CO)c(O)c2C)ccc1CC

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.73
PPARG P37231 3/20 0.32
PPARD Q03181 3/20 0.32
PPARA Q07869 3/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYSLTR2 Q9NS75 2/20 0.30
CYSLTR1 Q9Y271 2/20 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
SCHEMBL229168 0.84 VDR (1.00) VDRPPARGPPARDPPARANPC1
SCHEMBL6477633 0.84 VDR (0.67) VDR
SCHEMBL6472936 0.83 VDR (0.68) VDRMAPTL3MBTL1
SCHEMBL4888601 0.82 VDR (0.92) VDRPPARGPPARDPPARANPC1
SCHEMBL4617119 0.79 VDR (0.75) VDR
SCHEMBL2890000 0.78 VDR (0.66) VDRPPARGPPARDPPARA
SCHEMBL2854911 0.78 VDR (0.88) VDR
SCHEMBL2641441 0.78 VDR (0.84) VDRPPARGPPARDPPARANPC1
SCHEMBL1074550 0.78 VDR (0.74) VDRPPARGMEN1NPC1ALDH1A1
SCHEMBL1022006 0.78 VDR (0.61) VDRMEN1NPC1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286285-A1 Pharmaceutical composition comprising oleaginous ointments and vitamin D or its derivatives in the solubilized state GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-11-11 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-20100286285-A1 Pharmaceutical composition comprising oleaginous ointments and vitamin D or its derivatives in the solubilized state CYP24A1, VDR, CYP2R1 VDR 2/4885PPARG 83/4885PPARD 10/4885

“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.