SCHEMBL3474522

SCHEMBL3474522

Fc1ccc(Cn2nc(C(F)(F)F)cc2-c2ccco2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.52
NR1H2 P55055 1/20 0.52
NR1H3 Q13133 1/20 0.52
ADORA2A P29274 7/20 0.48
ADORA3 P0DMS8 3/20 0.48
ADORA2B P29275 3/20 0.48
ADORA1 P30542 3/20 0.48
GUCY1B2 O75343 1/20 0.40
GUCY1A2 P33402 1/20 0.40
GUCY1A1 Q02108 1/20 0.40
GUCY1B1 Q02153 1/20 0.40
TSHR P16473 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
KCNK3 O14649 1/20 0.39
LMNA P02545 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
SCHEMBL4130184 0.79 ALDH1A1 (0.49) ADORA2AADORA3ADORA2BADORA1TSHR
SCHEMBL3472815 0.79 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1GUCY1B2
SCHEMBL27256593 0.78 KDM4E (0.43) TSHRHSD17B10MAPTKDM4EALDH1A1
SCHEMBL13184352 0.77 KDM4E (0.47) TSHRHSD17B10MAPTKDM4EALDH1A1
SCHEMBL3471298 0.74 RXRA (0.63) RXRANR1H2NR1H3GUCY1B2GUCY1A2
SCHEMBL23358701 0.73 PTGS1 (0.53) TSHRHSD17B10MAPTKDM4EALDH1A1
SCHEMBL3471757 0.69 RXRA (1.00) RXRANR1H2NR1H3KCNK3
SCHEMBL6763705 0.68 KDM4E (0.48) TSHRHSD17B10MAPTKDM4EALDH1A1
SCHEMBL3436668 0.67 GUCY1B2 (0.56) ADORA2AADORA3ADORA2BADORA1GUCY1B2
SCHEMBL3474540 0.67 RXRA (0.69) RXRANR1H2NR1H3TSHRHSD17B10

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.