SCHEMBL3473801

SCHEMBL3473801

Cc1ccc(OC(C)C)c(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)s2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.55
NR1H2 P55055 6/20 0.55
NR1H3 Q13133 6/20 0.55
SLC16A3 O15427 7/20 0.34
SLC16A1 P53985 7/20 0.34
TGFBR1 P36897 1/20 0.33
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
MAPT P10636 2/20 0.30
TP53 P04637 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
FABP3 P05413 1/20 0.30
FABP4 P15090 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL3472036 0.91 RXRA (0.58) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL15641685 0.90 RXRA (0.58) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473984 0.89 RXRA (0.53) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3472040 0.86 RXRA (0.62) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471692 0.86 RXRA (0.54) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473165 0.85 RXRA (0.57) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3474674 0.82 RXRA (0.67) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3474940 0.82 RXRA (0.55) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471496 0.81 RXRA (0.69) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473617 0.81 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 8 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-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
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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-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.