SCHEMBL3471292

SCHEMBL3471292

COc1ccc([C@@H]2CN(C(=O)c3ccc(-c4cc(C(F)(F)F)nn4-c4ccccc4Cl)cc3)C[C@H]2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.45
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45
CACNB4 O00305 1/20 0.44
CACNA1A O00555 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNG3 O60359 1/20 0.44
CACNA1F O60840 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNB3 P54284 1/20 0.44
CACNA2D1 P54289 1/20 0.44
CACNG7 P62955 1/20 0.44
CACNA1B Q00975 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNB1 Q02641 1/20 0.44
CACNG1 Q06432 1/20 0.44
CACNB2 Q08289 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
CACNA1E Q15878 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
SCHEMBL3473732 0.91 RXRA (0.45) RXRANR1H2NR1H3CACNB4CACNA1A
SCHEMBL3475512 0.86 RXRA (0.47) RXRANR1H2NR1H3CACNB4CACNA1A
SCHEMBL3473126 0.83 RXRA (0.53) RXRANR1H2NR1H3CACNB4CACNA1A
SCHEMBL3472696 0.81 PTGS2 (0.52) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3471554 0.80 SCD5 (0.47) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3472622 0.79 RXRA (0.53) RXRANR1H2NR1H3CACNB4CACNA1A
SCHEMBL3471228 0.78 RXRA (0.52) RXRANR1H2NR1H3TSHRMAPT
SCHEMBL3472262 0.77 MAPT (0.52) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3473811 0.77 RXRA (0.51) RXRANR1H2NR1H3CACNB4CACNA1A
SCHEMBL3470736 0.76 RXRA (0.56) 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 2 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-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.