SCHEMBL4415586

SCHEMBL4415586

CC(C)[Si](OCc1cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1Cc1ccccc1)(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.39
NR1H3 Q13133 10/20 0.37
NR1H2 P55055 9/20 0.37
RORA P35398 5/20 0.37
RORC P51449 5/20 0.37
RORB Q92753 5/20 0.37
CCR2 P41597 1/20 0.35
MLYCD O95822 2/20 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
SCHEMBL4417815 0.81 NPC1 (0.41)
SCHEMBL1808695 0.81 PGR (0.44) PGRNR1H3NR1H2RORARORC
SCHEMBL1810597 0.79 PGR (0.45) PGRNR1H3NR1H2RORARORC
SCHEMBL4415587 0.78 PGR (0.41) PGRNR1H3NR1H2RORARORC
SCHEMBL1811056 0.77 PGR (0.47) PGRNR1H3NR1H2RORARORC
SCHEMBL1811050 0.75 PGR (0.46) PGRNR1H3NR1H2RORARORC
SCHEMBL4421855 0.72 CYP19A1 (0.39) PGR
SCHEMBL1809861 0.72 PGR (0.45) PGRNR1H3NR1H2RORARORC
SCHEMBL1812436 0.70 PGR (0.42) PGRNR1H3NR1H2RORARORC
SCHEMBL1808753 0.69 PGR (0.46) PGRNR1H3NR1H2RORARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756096-B1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-08-12 EP disclosed
US-7485652-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2009-02-03 US disclosed
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators DEHMLOW HENRIETTA 2007-05-03 US disclosed
EP-1756096-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
US-7173048-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
WO-2005105791-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 WO disclosed
US-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 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-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators INSR, NR1H2, NR1H3 PGR 210/4885NR1H3 3/4885NR1H2 2/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 PGR 210/4885NR1H3 3/4885NR1H2 2/4885

“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.