SCHEMBL3472909

SCHEMBL3472909

FC(F)(F)c1cc(-c2ccc(OCCN3CCOCC3)cc2)n(-c2ccccc2Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
RXRA P19793 2/20 0.48
NR1H2 P55055 2/20 0.48
NR1H3 Q13133 2/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NR3C2 P08235 1/20 0.47
MET P08581 1/20 0.47
BRAF P15056 1/20 0.46
MAPK14 Q16539 1/20 0.46
ACHE P22303 2/20 0.45
BCHE P06276 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
LTA4H P09960 1/20 0.44

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) NPC1RAB9ASIGMAR1RXRANR1H2
SCHEMBL3470950 0.91 RXRA (0.50) RXRANR1H2NR1H3NR3C2ACHE
SCHEMBL3474418 0.85 PTGS2 (0.50) RXRANR1H2NR1H3NR3C2
SCHEMBL3471970 0.83 RXRA (0.56) RXRANR1H2NR1H3NR3C2
SCHEMBL3471574 0.81 BACE1 (0.53) RXRANR1H2NR1H3NR3C2LTA4H
SCHEMBL1872837 0.80 PTGS1 (0.54) NPC1RAB9ASIGMAR1ALDH1A1
SCHEMBL3474086 0.80 CD274 (0.57) ALDH1A1MAOAMAOB
SCHEMBL3477579 0.80 RXRA (0.55) RXRANR1H2NR1H3NR3C2
SCHEMBL3473274 0.78 HTT (0.63) KDM4EALDH1A1MAPK14
SCHEMBL3473808 0.78 RXRA (0.55) RXRANR1H2NR1H3KDM4EALDH1A1

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 NPC1 41/4885RAB9A 2024/4885SIGMAR1 227/4885

“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.