SCHEMBL1809776

SCHEMBL1809776

OC(c1ccc2c(c1)CCN2Cc1ccccc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.60
NR1H3 Q13133 7/20 0.60
NR1H2 P55055 3/20 0.49
ALOX5 P09917 4/20 0.47
EPHX2 P34913 3/20 0.47
NR1I2 O75469 2/20 0.46
KCNT1 Q5JUK3 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
SCHEMBL11363587 0.86 NR1H3 (0.46) RORCNR1H3ALOX5EPHX2KCNT1
SCHEMBL11351990 0.85 ALOX5 (0.47) RORCNR1H3ALOX5EPHX2KCNT1
SCHEMBL16625623 0.84 HDAC1 (0.49) RORCNR1H3ALOX5EPHX2
SCHEMBL11359622 0.83 RORC (0.47) RORCNR1H3NR1H2ALOX5EPHX2
SCHEMBL15528373 0.82 HDAC6 (0.54) RORCNR1H3ALOX5EPHX2KCNT1
SCHEMBL15525689 0.82 NR1H3 (0.44) RORCNR1H3NR1H2ALOX5EPHX2
SCHEMBL15528711 0.82 ALOX5 (0.53) RORCNR1H3ALOX5EPHX2KCNT1
SCHEMBL3617729 0.80 NR1H3 (0.57) RORCNR1H3NR1H2NR1I2
SCHEMBL15529401 0.80 HDAC6 (0.45) RORCNR1H3NR1H2ALOX5EPHX2
SCHEMBL15603578 0.79 RORC (0.42) RORCNR1H3ALOX5EPHX2KCNT1

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 18 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
US-7485652-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2009-02-03 US claimed
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators DEHMLOW HENRIETTA 2007-05-03 US 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
US-4251659-A Polyfluorohydroxyisopropyl-heterocyclic compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-02-17 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 178/4885NR1H3 3/4885NR1H2 2/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 RORC 178/4885NR1H3 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.