SCHEMBL1804952

SCHEMBL1804952

COC(=O)c1ccc(CN2c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3CC2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 7/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ CHKA P35790 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL1807699 0.89 RORC (0.45) RORCMEN1KMT2AALDH1A1MAPT
SCHEMBL1812437 0.83 NR1H3 (0.44) RORCMEN1KMT2AALDH1A1MAPT
SCHEMBL1802343 0.82 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL1809660 0.82 DRD2 (0.39) RORCMEN1KMT2AALDH1A1MAPT
SCHEMBL1801349 0.80 GAA (0.41) RORCKMT2AALDH1A1GAANR1H2
SCHEMBL1806534 0.78 NR1H3 (0.40) RORCMEN1KMT2AALDH1A1MAPT
SCHEMBL1806480 0.77 ALDH1A1 (0.40) RORCMEN1KMT2AALDH1A1MAPT
SCHEMBL1810157 0.77 GAA (0.42) RORCMEN1KMT2AALDH1A1MAPT
SCHEMBL1810045 0.77 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL1812975 0.76 GAA (0.45) RORCMEN1KMT2AALDH1A1MAPT

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 13 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
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
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 RORC 178/4885MEN1 1598/4885KMT2A 2809/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 RORC 178/4885MEN1 1598/4885KMT2A 2809/4885

“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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