SCHEMBL3477579

SCHEMBL3477579

CN(C)CCOc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.55
NR1H2 P55055 3/20 0.55
NR1H3 Q13133 3/20 0.55
PTGS2 P35354 9/20 0.47
PTGS1 P23219 6/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NR3C2 P08235 1/20 0.46
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41

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
SCHEMBL3475074 0.90 RXRA (0.56) RXRANR1H2NR1H3PTGS1NR3C2
SCHEMBL3471970 0.87 RXRA (0.56) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3472800 0.84 RXRA (0.53) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3473808 0.82 RXRA (0.55) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3470950 0.81 RXRA (0.50) RXRANR1H2NR1H3PTGS2TSHR
SCHEMBL3473190 0.80 RXRA (0.56) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3472501 0.80 RXRA (0.52) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3472909 0.80 NPC1 (0.50) RXRANR1H2NR1H3NR3C2
SCHEMBL15690825 0.80 RXRA (0.58) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3471271 0.79 RXRA (0.55) RXRANR1H2NR1H3PTGS2PTGS1

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.