SCHEMBL3475413

SCHEMBL3475413

COc1cccc(COC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.50
NR1H2 P55055 3/20 0.50
NR1H3 Q13133 3/20 0.50
RXFP1 Q9HBX9 1/20 0.47
MAPT P10636 6/20 0.46
POLB P06746 1/20 0.44
THRB P10828 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NR3C2 P08235 1/20 0.43
TP53 P04637 2/20 0.41
MARS1 P56192 1/20 0.41
SLC16A3 O15427 3/20 0.41
SLC16A1 P53985 2/20 0.40
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNG3 O60359 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNB3 P54284 1/20 0.40

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
SCHEMBL3470789 0.83 RXRA (0.51) RXRANR1H2NR1H3MAPTTHRB
SCHEMBL3472906 0.83 RXRA (0.49) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL3474016 0.83 RXRA (0.50) RXRANR1H2NR1H3MAPTTHRB
SCHEMBL15690895 0.83 RXRA (0.52) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL3471587 0.82 RXRA (0.52) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL3472940 0.82 RXRA (0.46) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL3473200 0.81 RXRA (0.52) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL3473186 0.81 HTT (0.53) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL14624111 0.80 RXRA (0.47) RXRANR1H2NR1H3MAPTPOLB
SCHEMBL3472663 0.80 RXRA (0.51) RXRANR1H2NR1H3MAPTPOLB

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.