SCHEMBL2639809

SCHEMBL2639809

CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1cc(CCc2ccc(CO)c(CO)c2)ccc1C

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.77
PGR P06401 1/20 0.40
RORC P51449 12/20 0.39
PPARG P37231 1/20 0.35
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
CETP P11597 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
SCHEMBL4886580 0.91 VDR (0.63) VDRPGRRORCNR1H2NR1H3
SCHEMBL4888522 0.87 VDR (0.59) VDRPGRRORCNR1H2NR1H3
SCHEMBL4894574 0.87 VDR (0.66) VDRPGRRORCPPARGNR1H2
SCHEMBL4881083 0.87 VDR (0.61) VDRPGRRORCPPARGNR1H2
SCHEMBL2855063 0.87 VDR (1.00) VDRCETP
SCHEMBL4893090 0.86 VDR (0.58) VDRNR1H2NR1H3
SCHEMBL4888589 0.86 VDR (0.58) VDRPGRRORCNR1H2NR1H3
SCHEMBL4883569 0.85 VDR (0.60) VDRNR1H2NR1H3
SCHEMBL4884684 0.84 VDR (0.55) VDRPGRRORCNR1H2NR1H3
SCHEMBL15057603 0.84 VDR (0.54) VDRPGRRORCPPARGNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4652687-B2 2011-03-16 JP claimed
US-20080194528-A1 Pharmaceutical compositions comprising organopolysiloxane elastomers and solubilized bioactive compounds GALDERMA RESEARCH AND DEVELOPMENT (FR) 2008-08-14 US claimed
EP-1885374-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN OLEAGINOUS OINTMENT AND VITAMIN D OR THE DERIVATIVES THEREOF IN SOLUBILISED FORM Galderma Research & Development (FR) 2008-02-13 EP claimed
WO-2006123031-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN OLEAGINOUS OINTMENT AND VITAMIN D OR THE DERIVATIVES THEREOF IN SOLUBILISED FORM GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-11-23 WO 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
WO-2003050067-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2003-06-19 WO claimed
US-20080194528-A1 Pharmaceutical compositions comprising organopolysiloxane elastomers and solubilized bioactive compounds GALDERMA RESEARCH AND DEVELOPMENT (FR) 2008-08-14 US disclosed
EP-1885374-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN OLEAGINOUS OINTMENT AND VITAMIN D OR THE DERIVATIVES THEREOF IN SOLUBILISED FORM Galderma Research & Development (FR) 2008-02-13 EP disclosed
WO-2006123031-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN OLEAGINOUS OINTMENT AND VITAMIN D OR THE DERIVATIVES THEREOF IN SOLUBILISED FORM GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-11-23 WO 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 3/4885PGR 409/4885RORC 93/4885
US-20080194528-A1 Pharmaceutical compositions comprising organopolysiloxane elastomers and solubilized bioactive compounds CYP24A1, VDR, SOST VDR 2/4885PGR 2407/4885RORC 100/4885

“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.