SCHEMBL2641441

SCHEMBL2641441

CCCc1cc(C(O)(CC)CC)ccc1-c1cc(OCc2ccc(CO)c(CO)c2)ccc1C

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.84
PPARD Q03181 4/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
FFAR1 O14842 5/20 0.32
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
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
PDGFRA P16234 1/20 0.30
ROCK1 Q13464 1/20 0.30
S1PR4 O95977 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
SCHEMBL4881104 0.96 VDR (0.77) VDRPPARDPPARGPPARAFFAR1
SCHEMBL6564164 0.92 VDR (0.77) VDRPPARDFFAR1S1PR1MAOB
SCHEMBL229168 0.91 VDR (1.00) VDRPPARDPPARGPPARAFFAR1
SCHEMBL6564192 0.91 VDR (0.68) VDRPPARDFFAR1S1PR1MAOB
SCHEMBL2639763 0.89 VDR (0.67) VDRPPARDPPARGPPARAFFAR1
SCHEMBL2890000 0.89 VDR (0.66) VDRPPARDPPARGPPARAMAOB
SCHEMBL4894574 0.89 VDR (0.66) VDRPPARDPPARGPPARAS1PR1
SCHEMBL4620770 0.88 VDR (0.66) VDR
SCHEMBL4888601 0.87 VDR (0.92) VDRPPARDPPARGPPARAFFAR1
SCHEMBL2855063 0.87 VDR (1.00) VDR

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4652687-B2 2011-03-16 JP claimed
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 claimed
EP-1456160-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2010-01-20 EP claimed
EP-1893237-B1 PHARMACEUTICAL COMPOSITION COMPRISING AN ORGANOPOLYSILOXANE ELASTOMER AND A SOLUBILIZED ACTIVE PRINCIPLE GALDERMA RES & DEV (FR) 2009-09-16 EP claimed
US-20080194528-A1 Pharmaceutical compositions comprising organopolysiloxane elastomers and solubilized bioactive compounds GALDERMA RESEARCH AND DEVELOPMENT (FR) 2008-08-14 US claimed
EP-1893237-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ORGANOPOLYSILOXANE ELASTOMER AND A SOLUBILIZED ACTIVE PRINCIPLE Galderma Research & Development (FR) 2008-03-05 EP claimed
WO-2006134272-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ORGANOPOLYSILOXANE ELASTOMER AND A SOLUBILIZED ACTIVE PRINCIPLE GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-12-21 WO claimed
US-6924400-B2 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2005-08-02 US claimed
JP-2005511731-A 2005-04-28 JP claimed
EP-1456160-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-09-15 EP claimed
US-20030195259-A1 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-10-16 US claimed
WO-2003050067-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2003-06-19 WO claimed
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
EP-1456160-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2010-01-20 EP disclosed
EP-1893237-B1 PHARMACEUTICAL COMPOSITION COMPRISING AN ORGANOPOLYSILOXANE ELASTOMER AND A SOLUBILIZED ACTIVE PRINCIPLE GALDERMA RES & DEV (FR) 2009-09-16 EP disclosed
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
EP-1456160-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-09-15 EP disclosed
US-20030195259-A1 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-10-16 US disclosed
WO-2003050067-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2003-06-19 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 (3 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 2/4885PPARD 10/4885PPARG 83/4885
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.