SCHEMBL3472547

SCHEMBL3472547

Cn1ccc2cc(-c3ccc(-c4cc(C(C)(C)O)nn4-c4ccccc4Cl)cc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.48
NR1H2 P55055 5/20 0.48
NR1H3 Q13133 5/20 0.48
MAPK14 Q16539 2/20 0.40
SLC16A3 O15427 4/20 0.40
SLC16A1 P53985 4/20 0.40
HSD11B1 P28845 1/20 0.39
MARS1 P56192 1/20 0.38
FAAH O00519 4/20 0.37
NR3C2 P08235 1/20 0.36
TGFBR1 P36897 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
SCHEMBL3472194 0.88 RXRA (0.62) RXRANR1H2NR1H3MAPK14SLC16A3
SCHEMBL3471076 0.80 RXRA (0.57) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3472324 0.80 RXRA (0.57) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3475637 0.80 RXRA (0.48) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471188 0.79 RXRA (0.56) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3472972 0.78 RXRA (0.48) RXRANR1H2NR1H3MAPK14SLC16A3
SCHEMBL3470712 0.78 RXRA (0.67) RXRANR1H2NR1H3
SCHEMBL3471943 0.77 RXRA (0.62) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471726 0.77 RXRA (0.57) RXRANR1H2NR1H3MAPK14
SCHEMBL14622695 0.76 RXRA (0.56) RXRANR1H2NR1H3MARS1NR3C2

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 8 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
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

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.