SCHEMBL3473891

SCHEMBL3473891

FC(F)(F)c1cc(-c2cccc(OCc3ccccc3)c2)n(-c2ccccc2Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.57
NR1H3 Q13133 4/20 0.57
RXRA P19793 3/20 0.57
SLC16A3 O15427 10/20 0.51
SLC16A1 P53985 9/20 0.51
NR3C2 P08235 1/20 0.47
SLC5A1 P13866 2/20 0.47
PTGS1 P23219 1/20 0.45
MCTS1 Q9ULC4 1/20 0.43
BACE1 P56817 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
SCHEMBL3473808 0.89 RXRA (0.55) NR1H2NR1H3RXRANR3C2PTGS1
SCHEMBL3472101 0.86 RXRA (0.57) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL2255961 0.85 NR1H2 (0.41) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL15690825 0.84 RXRA (0.58) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL2257420 0.83 NR1H2 (0.50) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3475074 0.83 RXRA (0.56) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3471319 0.82 MAPT (0.51) NR1H2NR1H3RXRA
SCHEMBL3472668 0.81 RXRA (0.57) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3471574 0.81 BACE1 (0.53) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL2257733 0.81 GAA (0.42) NR1H2NR1H3RXRANR3C2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
CN-101248048-B Imidazole based LXR modulators EXELIXIS INC 2013-08-28 CN disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
CN-101248048-A Imidazole based LXR modulators EXELIXIS INC (US) 2008-08-20 CN disclosed
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO 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 (1 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RXRA 18/4885

“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.