SCHEMBL20756090

SCHEMBL20756090

FC(F)(F)c1cc(OCc2ccccc2)c(C(F)(F)F)cc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.54
RXRB P28702 3/20 0.54
RXRG P48443 3/20 0.54
MRGPRX4 Q96LA9 5/20 0.54
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CTSS P25774 1/20 0.47
AR P10275 1/20 0.47
HTR2C P28335 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR2B P41595 1/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
LIPE Q05469 1/20 0.44
LTA4H P09960 1/20 0.43
MAPK14 Q16539 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
SCHEMBL18893896 0.90 MRGPRX4 (0.49) RXRARXRBRXRGMRGPRX4MAPT
SCHEMBL29937257 0.90 MRGPRX4 (0.49) RXRARXRBRXRGMRGPRX4MAPT
SCHEMBL8565675 0.86 LTA4H (0.44) RXRARXRBRXRGMRGPRX4MAPT
SCHEMBL6628330 0.85 RXRA (0.71) RXRARXRBRXRGMRGPRX4MAPT
SCHEMBL2970971 0.84 MRGPRX4 (0.45) RXRARXRBRXRGMRGPRX4CTSS
SCHEMBL3726426 0.83 PTGER1 (0.54) RXRARXRBRXRGMRGPRX4SLC6A4
SCHEMBL5388117 0.83 RXRA (0.60) RXRARXRBRXRGMRGPRX4CTSS
SCHEMBL656838 0.83 MRGPRX4 (0.50) RXRARXRBRXRGMRGPRX4MAPT
SCHEMBL30955958 0.83 PTGER1 (0.54) RXRARXRBRXRGMRGPRX4SLC6A4
SCHEMBL14453588 0.83 MRGPRX4 (0.50) RXRARXRBRXRGMRGPRX4MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021441-B2 High solubility thioether quinones WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2021-06-01 US disclosed
US-20200223794-A1 High Solubility Thioether Quinones WISCONSIN ALUMNI RESEARCH FOUNDATION 2020-07-16 US disclosed
US-20190055193-A1 High-Solubility Thioether Quinones U.S. DEPARTMENT OF ENERGY 2019-02-21 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 (3 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-11021441-B2 High solubility thioether quinones SQOR, TST, NDUFS3 RXRA 1787/4885RXRB 1875/4885RXRG 1864/4885
US-20200223794-A1 High Solubility Thioether Quinones SQOR, TST, NDUFS3 RXRA 1787/4885RXRB 1875/4885RXRG 1864/4885
US-20190055193-A1 High-Solubility Thioether Quinones SQOR, TST, NDUFS3 RXRA 2070/4885RXRB 2242/4885RXRG 2127/4885

“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.