SCHEMBL3471574

SCHEMBL3471574

FC(F)(F)c1cc(-c2cccc(OCCN3CCCCC3)c2)n(-c2ccccc2Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.53
RXRA P19793 3/20 0.52
NR1H2 P55055 3/20 0.52
NR1H3 Q13133 3/20 0.52
LTA4H P09960 2/20 0.51
HRH3 Q9Y5N1 4/20 0.45
SLC5A1 P13866 2/20 0.45
NR3C2 P08235 1/20 0.45
SLC16A3 O15427 2/20 0.43
SLC16A1 P53985 2/20 0.43
GALR3 O60755 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL3471877 0.91 RXRA (0.50) BACE1RXRANR1H2NR1H3LTA4H
SCHEMBL3470950 0.91 RXRA (0.50) BACE1RXRANR1H2NR1H3LTA4H
SCHEMBL15690825 0.84 RXRA (0.58) RXRANR1H2NR1H3SLC5A1NR3C2
SCHEMBL3475074 0.82 RXRA (0.56) RXRANR1H2NR1H3SLC5A1NR3C2
SCHEMBL3472909 0.81 NPC1 (0.50) RXRANR1H2NR1H3LTA4HNR3C2
SCHEMBL3472674 0.79 RXRA (0.49) RXRANR1H2NR1H3HRH3NR3C2
SCHEMBL3472101 0.79 RXRA (0.57) RXRANR1H2NR1H3SLC5A1NR3C2
SCHEMBL3472668 0.77 RXRA (0.57) RXRANR1H2NR1H3SLC5A1NR3C2
SCHEMBL3474986 0.75 NR3C2 (0.47) RXRANR1H2NR1H3SLC5A1NR3C2
SCHEMBL3471829 0.74 CHRNB2 (0.52) RXRANR1H2NR1H3NR3C2

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 BACE1 1258/4885RXRA 18/4885NR1H2 1/4885

“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.