SCHEMBL1813839

SCHEMBL1813839

Cc1c(Cl)c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.54
▸ RORA P35398 9/20 0.49
▸ RORC P51449 9/20 0.49
▸ RORB Q92753 9/20 0.49
▸ NR1H3 Q13133 8/20 0.45
▸ NR1H2 P55055 8/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL1812622 0.88 PGR (0.54) PGRRORARORCRORBNR1H3
SCHEMBL1809852 0.88 PGR (0.53) PGRRORARORCRORBNR1H3
SCHEMBL1811056 0.80 PGR (0.47) PGRRORARORCRORBNR1H3
SCHEMBL1810113 0.79 PGR (0.52) PGRRORARORCRORBNR1H3
SCHEMBL14141595 0.78 PGR (0.78) PGRRORARORCRORBNR1H3
SCHEMBL1811400 0.74 NR1H2 (0.62) NR1H3NR1H2ALDH1A1GAAMAPT
SCHEMBL1810597 0.72 PGR (0.45) PGRRORARORCRORBNR1H3
SCHEMBL1812436 0.72 PGR (0.42) PGRRORARORCRORBNR1H3
SCHEMBL1808695 0.72 PGR (0.44) PGRRORARORCRORBNR1H3
SCHEMBL1812093 0.72 PGR (0.46) PGRRORARORCRORBNR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4682192-B2 — — 2011-05-11 — — JP claimed
EP-1756096-B1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-08-12 — — EP claimed
CN-1950365-A Indolyl derivatives as liver-X-receptor modulators HOFFMANN LA ROCHE (CH) 2007-04-18 — — CN claimed
EP-1756096-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 — — EP claimed
US-7173048-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2007-02-06 — — US claimed
WO-2005105791-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 — — WO claimed
US-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 — — US claimed
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
CN-1950365-A Indolyl derivatives as liver-X-receptor modulators HOFFMANN LA ROCHE (CH) 2007-04-18 — — CN 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 210/4885RORA 64/4885RORC 178/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 PGR 210/4885RORA 64/4885RORC 178/4885

“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.

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