SCHEMBL3579529

SCHEMBL3579529

CC(C)Oc1ccc(-c2ccccc2-n2cc(C(C)(C)O)nc2-c2ccccc2C(F)(F)F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.40
NR1H2 P55055 5/20 0.40
NR1H3 Q13133 5/20 0.40
HSD11B1 P28845 10/20 0.38
TRPA1 O75762 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
KMO O15229 1/20 0.34

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
SCHEMBL3590196 0.90 RXRA (0.52) RXRANR1H2NR1H3HSD11B1PTGS2
SCHEMBL3586606 0.88 TRPA1 (0.39) RXRANR1H2NR1H3HSD11B1TRPA1
SCHEMBL3587049 0.80 PTGS2 (0.44) RXRANR1H2NR1H3HSD11B1TRPA1
SCHEMBL3576966 0.80 PTGS2 (0.41) RXRANR1H2NR1H3HSD11B1TRPA1
SCHEMBL3571793 0.79 PTGS2 (0.55) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3580753 0.77 HSD11B1 (0.49) RXRANR1H2NR1H3HSD11B1PTGS2
SCHEMBL3573079 0.77 HSD11B1 (0.42) RXRANR1H2NR1H3HSD11B1
SCHEMBL3579767 0.77 RXRA (0.46) RXRANR1H2NR1H3HSD11B1PTGS2
SCHEMBL15988532 0.77 RXRA (0.54) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3588699 0.76 RXRA (0.59) RXRANR1H2NR1H3HSD11B1PTGS2

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-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 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-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1I2 RXRA 17/4885NR1H2 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.