SCHEMBL3586957

SCHEMBL3586957

CC(C)Oc1ncccc1-c1cccc(-n2cc(C(C)(C)O)nc2-c2ccccc2C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.40
NR1H2 P55055 4/20 0.40
NR1H3 Q13133 4/20 0.40
GRM5 P41594 1/20 0.39
SCN9A Q15858 3/20 0.37
ALOX5AP P20292 3/20 0.37
FEN1 P39748 3/20 0.37
PTGS2 P35354 2/20 0.37
SCN10A Q9Y5Y9 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
METAP2 P50579 1/20 0.35
HSD11B1 P28845 2/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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
SCHEMBL3581082 0.90 PTGS2 (0.43) RXRANR1H2NR1H3ALOX5APFEN1
SCHEMBL3581998 0.86 RXRA (0.44) RXRANR1H2NR1H3SCN9APTGS2
SCHEMBL3574264 0.86 FFAR4 (0.43) RXRANR1H2NR1H3GRM5SCN9A
SCHEMBL3583253 0.85 RXRA (0.48) RXRANR1H2NR1H3GRM5SCN9A
SCHEMBL3576821 0.84 RXRA (0.40) RXRANR1H2NR1H3GRM5SCN9A
SCHEMBL3574270 0.80 PTGS2 (0.45) RXRANR1H2NR1H3SCN9APTGS2
SCHEMBL3578471 0.80 RXRA (0.51) RXRANR1H2NR1H3PTGS2HSD11B1
SCHEMBL3575479 0.80 RXRA (0.50) RXRANR1H2NR1H3SCN9APTGS2
SCHEMBL13437894 0.79 RXRA (0.44) RXRANR1H2NR1H3GRM5SCN9A
SCHEMBL3576428 0.79 PTGS2 (0.49) RXRANR1H2NR1H3GRM5SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.