SCHEMBL3471932

SCHEMBL3471932

CC(C)(O)c1cc(-c2ccc(-c3ccc(/C=C/C(=O)O)cc3)s2)n(-c2ccccc2Cl)n1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.66
NR1H2 P55055 6/20 0.66
NR1H3 Q13133 6/20 0.66
SLC16A3 O15427 9/20 0.37
SLC16A1 P53985 8/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
NQO2 P16083 1/20 0.35
PTPN11 Q06124 1/20 0.35
ESR1 P03372 1/20 0.34

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
SCHEMBL3471935 1.00 RXRA (0.66) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL14624053 0.90 RXRA (0.63) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3474696 0.90 RXRA (0.62) RXRANR1H2NR1H3NQO2ESR1
SCHEMBL3474697 0.90 RXRA (0.62) RXRANR1H2NR1H3NQO2ESR1
SCHEMBL14623677 0.88 RXRA (0.71) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473734 0.86 RXRA (0.78) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473137 0.86 RXRA (0.71) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473187 0.86 RXRA (0.68) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471659 0.85 RXRA (0.58) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471652 0.85 RXRA (0.58) RXRANR1H2NR1H3SLC16A3SLC16A1

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.