SCHEMBL4881104

SCHEMBL4881104

CCCc1cc(C(O)(CC)CC)ccc1-c1cc(COc2ccc(CO)c(CO)c2)ccc1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.77
PPARD Q03181 3/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
S1PR1 P21453 4/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
MAOB P27338 1/20 0.31
FFAR1 O14842 5/20 0.31
FFAR4 Q5NUL3 2/20 0.31
S1PR5 Q9H228 3/20 0.30
PRKD3 O94806 1/20 0.30
CDK7 P50613 1/20 0.30
JAK3 P52333 1/20 0.30
TNK2 Q07912 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
PDGFRA P16234 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
SCHEMBL2641441 0.96 VDR (0.84) VDRPPARDPPARGPPARAS1PR1
SCHEMBL4888601 0.91 VDR (0.92) VDRPPARDPPARGPPARAS1PR1
SCHEMBL2639763 0.91 VDR (0.67) VDRPPARDPPARGPPARANPC1
SCHEMBL4881083 0.89 VDR (0.61) VDRPPARDPPARGPPARAS1PR1
SCHEMBL6564164 0.88 VDR (0.77) VDRPPARDS1PR1MAOBFFAR1
SCHEMBL229168 0.87 VDR (1.00) VDRPPARDPPARGPPARAS1PR1
SCHEMBL6564192 0.87 VDR (0.68) VDRPPARDS1PR1MAOBFFAR1
SCHEMBL2855063 0.87 VDR (1.00) VDR
SCHEMBL4620770 0.86 VDR (0.66) VDR
SCHEMBL4894574 0.85 VDR (0.66) VDRPPARDPPARGPPARAS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194528-A1 Pharmaceutical compositions comprising organopolysiloxane elastomers and solubilized bioactive compounds GALDERMA RESEARCH AND DEVELOPMENT (FR) 2008-08-14 US claimed
US-6924400-B2 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2005-08-02 US claimed
US-20080194528-A1 Pharmaceutical compositions comprising organopolysiloxane elastomers and solubilized bioactive compounds GALDERMA RESEARCH AND DEVELOPMENT (FR) 2008-08-14 US disclosed
US-6924400-B2 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2005-08-02 US disclosed
US-20030195259-A1 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-10-16 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-20030195259-A1 Triaromatic vitamin D analogues CYP24A1, CYP2R1, VDR VDR 3/4885PPARD 61/4885PPARG 96/4885
US-20080194528-A1 Pharmaceutical compositions comprising organopolysiloxane elastomers and solubilized bioactive compounds CYP24A1, VDR, SOST VDR 2/4885PPARD 121/4885PPARG 426/4885

“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.