SCHEMBL3470950

SCHEMBL3470950

FC(F)(F)c1cc(-c2ccc(OCCN3CCCCC3)cc2)n(-c2ccccc2Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.50
NR1H2 P55055 2/20 0.50
NR1H3 Q13133 2/20 0.50
LTA4H P09960 7/20 0.47
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
NR3C2 P08235 1/20 0.47
PTGS2 P35354 1/20 0.45
HRH3 Q9Y5N1 4/20 0.45
TSHR P16473 1/20 0.44
HRH1 P35367 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDR P35968 1/20 0.43
BACE1 P56817 1/20 0.42
ACHE P22303 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
SCHEMBL3471574 0.91 BACE1 (0.53) RXRANR1H2NR1H3LTA4HNR3C2
SCHEMBL3472909 0.91 NPC1 (0.50) RXRANR1H2NR1H3LTA4HNR3C2
SCHEMBL3472674 0.84 RXRA (0.49) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3471877 0.81 RXRA (0.50) RXRANR1H2NR1H3LTA4HNR3C2
SCHEMBL3477579 0.81 RXRA (0.55) RXRANR1H2NR1H3ESR1ESR2
SCHEMBL3473808 0.80 RXRA (0.55) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL1870716 0.79 HRH3 (0.57) PTGS2HRH3HRH1KCNH2
SCHEMBL3471829 0.79 CHRNB2 (0.52) RXRANR1H2NR1H3NR3C2
SCHEMBL3474534 0.79 RXRA (0.50) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL1874492 0.78 PTGS1 (0.57) LTA4HPTGS2HRH3HRH1KCNH2

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 6 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

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.