SCHEMBL3473228

SCHEMBL3473228

CCN(CC)C(=O)COc1cccc(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 13/20 0.47
SLC16A1 P53985 12/20 0.47
RXRA P19793 3/20 0.47
NR1H2 P55055 3/20 0.47
NR1H3 Q13133 3/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SLC5A1 P13866 2/20 0.41
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
MCTS1 Q9ULC4 1/20 0.39

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
SCHEMBL15690888 0.89 SLC16A3 (0.48) SLC16A3SLC16A1RXRANR1H2NR1H3
SCHEMBL3474133 0.89 SLC16A3 (0.53) SLC16A3SLC16A1RXRANR1H2NR1H3
SCHEMBL3472691 0.86 RXRA (0.44) SLC16A3SLC16A1RXRANR1H2NR1H3
SCHEMBL15690873 0.78 RXRA (0.49) SLC16A3SLC16A1RXRANR1H2NR1H3
SCHEMBL3472404 0.77 RXRA (0.68) SLC16A3SLC16A1RXRANR1H2NR1H3
SCHEMBL3471076 0.77 RXRA (0.57) SLC16A3SLC16A1RXRANR1H2NR1H3
SCHEMBL3472324 0.77 RXRA (0.57) SLC16A3SLC16A1RXRANR1H2NR1H3
SCHEMBL3471188 0.76 RXRA (0.56) SLC16A3SLC16A1RXRANR1H2NR1H3
SCHEMBL3471447 0.75 NR1H2 (0.79) SLC16A3SLC16A1RXRANR1H2NR1H3
SCHEMBL3472848 0.75 RXRA (0.56) SLC16A3SLC16A1RXRANR1H2NR1H3

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 SLC16A3 1730/4885SLC16A1 1358/4885RXRA 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.