SCHEMBL3473802

SCHEMBL3473802

COc1ccc(CC2CCCN2C(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.44
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
ROCK2 O75116 1/20 0.43
PTGS2 P35354 5/20 0.43
PTGS1 P23219 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HCRTR1 O43613 4/20 0.42
HCRTR2 O43614 4/20 0.42
ABHD6 Q9BV23 1/20 0.42
DAGLA Q9Y4D2 1/20 0.42

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
SCHEMBL3474693 0.92 RXRA (0.46) RXRANR1H2NR1H3ROCK2PTGS1
SCHEMBL3472116 0.88 RXRA (0.48) RXRANR1H2NR1H3NR3C2MAPT
SCHEMBL3471998 0.87 RXRA (0.47) RXRANR1H2NR1H3CYP3A4HCRTR1
SCHEMBL3471554 0.87 SCD5 (0.47) RXRANR1H2NR1H3ROCK2PTGS2
SCHEMBL3472172 0.87 RXRA (0.46) RXRANR1H2NR1H3ROCK2CYP3A4
SCHEMBL3473375 0.87 RXRA (0.47) RXRANR1H2NR1H3NR3C2
SCHEMBL3473698 0.86 RXRA (0.49) RXRANR1H2NR1H3ROCK2NR3C2
SCHEMBL3473694 0.85 RXRA (0.46) RXRANR1H2NR1H3PTGS1HCRTR1
SCHEMBL3473893 0.85 RXRA (0.49) RXRANR1H2NR1H3HCRTR1NR3C2
SCHEMBL3473931 0.85 RXRA (0.45) RXRANR1H2NR1H3NR3C2

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 2 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-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.