SCHEMBL3471548

SCHEMBL3471548

CC(C)(O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3c(Cl)cccc3Cl)c(Cl)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.44
NR1H2 P55055 4/20 0.44
NR1H3 Q13133 4/20 0.44
PTGS2 P35354 7/20 0.41
PTGS1 P23219 7/20 0.41
SYK P43405 2/20 0.40
PDPK1 O15530 2/20 0.39
NR4A2 P43354 1/20 0.39
KCNH2 Q12809 1/20 0.39
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37

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
SCHEMBL16328896 0.86 NR4A2 (0.40) RXRANR1H2NR1H3SYKNR4A2
SCHEMBL3471900 0.80 PDK2 (0.45) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3473836 0.80 RXRA (0.68) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL2256963 0.78 NR1H2 (0.59) RXRANR1H2NR1H3KCNH2
SCHEMBL3472571 0.76 PTGS2 (0.47) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3473534 0.73 RXRA (0.69) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL15706946 0.72 NR1H2 (0.54) RXRANR1H2NR1H3
SCHEMBL3472324 0.72 RXRA (0.57) RXRANR1H2NR1H3NR4A2KCNH2
SCHEMBL3471943 0.72 RXRA (0.62) RXRANR1H2NR1H3PTGS1
SCHEMBL3471959 0.71 RXRA (0.63) RXRANR1H2NR1H3PTGS2PTGS1

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 7 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
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
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 RXRA 18/4885NR1H2 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.