SCHEMBL2265430

SCHEMBL2265430

CCOC(=O)c1cccc(Oc2ccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(C)cc3C)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.57
NR1H2 P55055 3/20 0.57
NR1H3 Q13133 3/20 0.57
SCN9A Q15858 2/20 0.38
MAPT P10636 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
AR P10275 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CMA1 P23946 1/20 0.36
P2RX3 P56373 1/20 0.36
THRB P10828 1/20 0.36
POLQ O75417 1/20 0.35

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
SCHEMBL2263649 0.94 RXRA (0.56) RXRANR1H2NR1H3SCN9AMAPT
SCHEMBL2266030 0.93 NR1H2 (0.58) RXRANR1H2NR1H3MAPTRXFP1
SCHEMBL2263685 0.91 NR1H2 (0.60) RXRANR1H2NR1H3SCN9AMAPT
SCHEMBL2263662 0.91 RXRA (0.62) RXRANR1H2NR1H3MAPTRXFP1
SCHEMBL12390391 0.90 RXRA (0.44) RXRANR1H2NR1H3MAPTACMSD
SCHEMBL2263683 0.90 NR1H2 (0.65) RXRANR1H2NR1H3MAPTRXFP1
SCHEMBL2389581 0.89 NR1H2 (0.57) RXRANR1H2NR1H3MAPTRXFP1
SCHEMBL2388277 0.89 NR1H2 (0.57) RXRANR1H2NR1H3SCN9AMAPT
SCHEMBL2262458 0.89 NR1H2 (0.61) RXRANR1H2NR1H3SCN9AMAPT
SCHEMBL2262606 0.88 NR1H2 (0.61) RXRANR1H2NR1H3SCN9AMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP disclosed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US disclosed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 RXRA 16/4885NR1H2 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.