SCHEMBL4881083

SCHEMBL4881083

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

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.61
PGR P06401 1/20 0.36
RORC P51449 1/20 0.35
NR1H2 P55055 11/20 0.35
NR1H3 Q13133 8/20 0.35
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
PRKD3 O94806 1/20 0.33
S1PR1 P21453 1/20 0.33
CDK7 P50613 1/20 0.33
JAK3 P52333 1/20 0.33
TNK2 Q07912 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL4894574 0.96 VDR (0.66) VDRPGRRORCNR1H2NR1H3
SCHEMBL4891356 0.91 VDR (0.73) VDRPGRRORCNR1H2NR1H3
SCHEMBL6576788 0.90 VDR (0.76) VDRPGRRORCNR1H2NR1H3
SCHEMBL4881104 0.89 VDR (0.77) VDRPPARGPPARDPPARAPRKD3
SCHEMBL4884277 0.88 VDR (0.79) VDRPGRRORCNR1H2NR1H3
SCHEMBL2639809 0.87 VDR (0.77) VDRPGRRORCNR1H2NR1H3
SCHEMBL2641441 0.85 VDR (0.84) VDRPPARGPPARDPPARAPRKD3
SCHEMBL15060109 0.84 VDR (0.49) VDRPGRRORCNR1H2NR1H3
SCHEMBL6564524 0.81 VDR (0.47) VDRRORCPPARGPPARDPRKD3
SCHEMBL2639763 0.80 VDR (0.67) VDRPPARGPPARDPPARA

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 3/4885PGR 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.