SCHEMBL2857595

SCHEMBL2857595

CCc1ccc(OCc2ccc(CO)c(CO)c2)cc1-c1ccc(C(O)(CC)CC)cc1C(C)C

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.74
FFAR1 O14842 3/20 0.33
PDE1A P54750 2/20 0.33
PDE1B Q01064 2/20 0.33
PDE1C Q14123 2/20 0.33
S1PR1 P21453 3/20 0.31
S1PR3 Q99500 1/20 0.31
MAOB P27338 6/20 0.31
ALOX5 P09917 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
S1PR5 Q9H228 2/20 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

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
SCHEMBL6566698 0.91 VDR (0.62) VDRFFAR1S1PR1S1PR3MAOB
SCHEMBL2854911 0.89 VDR (0.88) VDRMAOBALOX5MAOA
SCHEMBL6563016 0.88 VDR (0.80) VDRFFAR1S1PR1MAOBALOX5
SCHEMBL229168 0.85 VDR (1.00) VDRFFAR1S1PR1MAOBALOX5
SCHEMBL6564164 0.82 VDR (0.77) VDRFFAR1S1PR1MAOBALOX5
SCHEMBL27568064 0.82 VDR (0.51) VDRFFAR1
SCHEMBL2854307 0.81 VDR (0.52) VDRFFAR1PDE1APDE1BPDE1C
SCHEMBL4888601 0.81 VDR (0.92) VDRFFAR1S1PR1S1PR3MAOB
SCHEMBL6564192 0.81 VDR (0.68) VDRFFAR1S1PR1MAOBALOX5
SCHEMBL6564524 0.79 VDR (0.47) VDRFFAR1S1PR1MAOBALOX5

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 8 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
EP-1456160-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2010-01-20 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 (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 3/4885FFAR1 549/4885PDE1A 4226/4885
US-20080194528-A1 Pharmaceutical compositions comprising organopolysiloxane elastomers and solubilized bioactive compounds CYP24A1, VDR, SOST VDR 2/4885FFAR1 1797/4885PDE1A 4081/4885

“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.