SCHEMBL4888522

SCHEMBL4888522

CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1cc(NCc2ccc(CO)c(CO)c2)ccc1C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.59
PGR P06401 1/20 0.38
RORC P51449 13/20 0.36
RORA P35398 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
PPARA Q07869 1/20 0.35
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL4890685 0.91 VDR (0.52) VDRPGRRORCRORANR1H4
SCHEMBL4884826 0.89 VDR (0.76) VDRPPARAFFAR1FFAR4
SCHEMBL2639809 0.87 VDR (0.77) VDRPGRRORCNR1H2NR1H3
SCHEMBL4883570 0.84 VDR (0.55) VDRPGRRORCNR1H2NR1H3
SCHEMBL4894574 0.81 VDR (0.66) VDRPGRRORCPPARANR1H2
SCHEMBL4884684 0.81 VDR (0.55) VDRPGRRORCRORANR1H4
SCHEMBL4893090 0.80 VDR (0.58) VDRNR1H2NR1H3
SCHEMBL4888589 0.80 VDR (0.58) VDRPGRRORCNR1H2NR1H3
SCHEMBL2639763 0.80 VDR (0.67) VDRPPARAFFAR1FFAR4
SCHEMBL4894502 0.80 VDR (0.67) VDRPPARAFFAR1FFAR4

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.