SCHEMBL3472172

SCHEMBL3472172

O=C(c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1)N1CCCC1Cc1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.46
NR1H2 P55055 3/20 0.46
NR1H3 Q13133 3/20 0.46
HCRTR1 O43613 4/20 0.42
HCRTR2 O43614 4/20 0.42
CYP3A4 P08684 2/20 0.42
NR3C2 P08235 1/20 0.41
ALK Q9UM73 4/20 0.41
FABP4 P15090 1/20 0.41
NAMPT P43490 1/20 0.39
SCD5 Q86SK9 2/20 0.39
ROCK2 O75116 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SPHK2 Q9NRA0 1/20 0.38
TACR1 P25103 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
SCHEMBL3471998 0.92 RXRA (0.47) RXRANR1H2NR1H3HCRTR1HCRTR2
SCHEMBL3474693 0.89 RXRA (0.46) RXRANR1H2NR1H3HCRTR1HCRTR2
SCHEMBL3473375 0.89 RXRA (0.47) RXRANR1H2NR1H3NR3C2ALK
SCHEMBL3473698 0.88 RXRA (0.49) RXRANR1H2NR1H3NR3C2ALK
SCHEMBL3473802 0.87 RXRA (0.44) RXRANR1H2NR1H3HCRTR1HCRTR2
SCHEMBL2256207 0.87 HCRTR1 (0.45) HCRTR1HCRTR2CYP3A4FABP4SCD5
SCHEMBL3473931 0.87 RXRA (0.45) RXRANR1H2NR1H3NR3C2ALK
SCHEMBL3473694 0.86 RXRA (0.46) RXRANR1H2NR1H3HCRTR1HCRTR2
SCHEMBL3474768 0.85 ALK (0.51) RXRANR1H2NR1H3ALK
SCHEMBL3473893 0.85 RXRA (0.49) RXRANR1H2NR1H3HCRTR1NR3C2

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.