SCHEMBL3472115

SCHEMBL3472115

CCOc1ccc(C2CCCN2C(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.44
NR1H2 P55055 3/20 0.44
NR1H3 Q13133 3/20 0.44
CNR1 P21554 2/20 0.44
PTGS2 P35354 2/20 0.43
PTGS1 P23219 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SLC16A3 O15427 2/20 0.41
SLC16A1 P53985 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NR3C2 P08235 1/20 0.40
ROCK2 O75116 3/20 0.39
SCD5 Q86SK9 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
APC P25054 1/20 0.38
SLC5A1 P13866 1/20 0.38

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
SCHEMBL3471554 0.92 SCD5 (0.47) RXRANR1H2NR1H3CNR1PTGS2
SCHEMBL3474064 0.89 RXRA (0.48) RXRANR1H2NR1H3CNR1PTGS2
SCHEMBL3472851 0.89 RXRA (0.51) RXRANR1H2NR1H3CNR1PTGS1
SCHEMBL3473191 0.89 RXRA (0.49) RXRANR1H2NR1H3CNR1NR3C2
SCHEMBL3473959 0.88 CNR1 (0.53) RXRANR1H2NR1H3CNR1NR3C2
SCHEMBL3473659 0.88 RXRA (0.47) RXRANR1H2NR1H3CNR1NR3C2
SCHEMBL2260690 0.88 CNR1 (0.44) CNR1ALDH1A1SLC16A3SLC16A1KDM4E
SCHEMBL3472995 0.88 RXRA (0.46) RXRANR1H2NR1H3CNR1PTGS2
SCHEMBL3471953 0.87 RXRA (0.46) RXRANR1H2NR1H3CNR1PTGS2
SCHEMBL3475148 0.87 RXRA (0.47) RXRANR1H2NR1H3CNR1PTGS2

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 7 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
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.