SCHEMBL3581998

SCHEMBL3581998

CC(C)Oc1cccc(-c2cccc(-n3cc(C(C)(C)O)nc3-c3ccccc3C(F)(F)F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.44
NR1H2 P55055 6/20 0.44
NR1H3 Q13133 6/20 0.44
SCN9A Q15858 3/20 0.39
PTPN5 P54829 1/20 0.39
PTGS2 P35354 1/20 0.39
HSD11B1 P28845 5/20 0.38
CCKAR P32238 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
TRPA1 O75762 1/20 0.35
RXRB P28702 1/20 0.35

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
SCHEMBL3578471 0.94 RXRA (0.51) RXRANR1H2NR1H3PTPN5PTGS2
SCHEMBL3576821 0.91 RXRA (0.40) RXRANR1H2NR1H3SCN9APTGS2
SCHEMBL15988411 0.90 NR1H2 (0.45) RXRANR1H2NR1H3SCN9APTGS2
SCHEMBL3576428 0.90 PTGS2 (0.49) RXRANR1H2NR1H3SCN9APTGS2
SCHEMBL3575491 0.89 RXRA (0.45) RXRANR1H2NR1H3SCN9APTGS2
SCHEMBL3579741 0.87 RXRA (0.44) RXRANR1H2NR1H3SCN9APTGS2
SCHEMBL3583253 0.86 RXRA (0.48) RXRANR1H2NR1H3SCN9APTGS2
SCHEMBL3588220 0.86 NR1H2 (0.49) RXRANR1H2NR1H3SCN9APTGS2
SCHEMBL3586957 0.86 RXRA (0.40) RXRANR1H2NR1H3SCN9APTGS2
SCHEMBL15997606 0.85 RXRA (0.49) RXRANR1H2NR1H3SCN9APTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US claimed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US claimed
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US claimed
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US disclosed
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US disclosed
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US disclosed
EP-1910308-B1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-09-03 EP disclosed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US disclosed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US disclosed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US disclosed
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 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-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1H4 RXRA 17/4885NR1H2 1/4885NR1H3 2/4885
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1I2 RXRA 17/4885NR1H2 1/4885NR1H3 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.