SCHEMBL3474418

SCHEMBL3474418

O=C(OCCN1CCOCC1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.50
ATM Q13315 1/20 0.48
RXRA P19793 2/20 0.47
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
NR3C2 P08235 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PTGS1 P23219 1/20 0.45
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3472674 0.91 RXRA (0.49) PTGS2RXRANR1H2NR1H3NR3C2
SCHEMBL3471264 0.91 RXRA (0.50) PTGS2RXRANR1H2NR1H3NR3C2
SCHEMBL3472909 0.85 NPC1 (0.50) RXRANR1H2NR1H3NR3C2
SCHEMBL3474086 0.85 CD274 (0.57) PTGS2HTTNPSR1
SCHEMBL3473274 0.83 HTT (0.63) PTGS2SMN1; SMN2PTGS1HTTNPSR1
SCHEMBL3471587 0.83 RXRA (0.52) PTGS2RXRANR1H2NR1H3NR3C2
SCHEMBL3474195 0.82 RXRA (0.54) PTGS2RXRANR1H2NR1H3NR3C2
SCHEMBL3472448 0.82 RXRA (0.48) PTGS2RXRANR1H2NR1H3NR3C2
SCHEMBL3472836 0.82 RXRA (0.53) PTGS2RXRANR1H2NR1H3NR3C2
SCHEMBL3472800 0.81 RXRA (0.53) PTGS2RXRANR1H2NR1H3NR3C2

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 PTGS2 1500/4885ATM 3459/4885RXRA 18/4885

“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.