SCHEMBL3472231

SCHEMBL3472231

CC(C)(C(=O)O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3cc(Cl)ccc3Cl)s2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.56
NR1H2 P55055 7/20 0.56
NR1H3 Q13133 7/20 0.56
SLC16A3 O15427 1/20 0.40
SLC16A1 P53985 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
MAP4K4 O95819 1/20 0.39
PTGS2 P35354 4/20 0.38
PTGS1 P23219 2/20 0.38
MARS1 P56192 1/20 0.37
PTGDR Q13258 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL3471064 0.91 RXRA (0.68) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473693 0.89 RXRA (0.43) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3472699 0.84 RXRA (0.66) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471514 0.82 RXRA (0.68) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3472618 0.81 RXRA (0.82) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3470714 0.81 RXRA (0.60) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471971 0.80 RXRA (0.61) RXRANR1H2NR1H3TRPV1PTGS2
SCHEMBL12979963 0.80 RXRA (0.63) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3472328 0.80 NR1H2 (0.68) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3473537 0.80 RXRA (0.67) 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 3 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 claimed
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.