SCHEMBL6522650

SCHEMBL6522650

COC(=O)/C=C/C(=O)OCC(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.59
KEAP1 Q14145 1/20 0.59
NFE2L2 Q16236 1/20 0.59
TSHR P16473 3/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 5/20 0.39
POLB P06746 1/20 0.39
GFPT1 Q06210 1/20 0.38
HSD17B10 Q99714 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6513578 0.95 HCAR2 (0.50) HCAR2KEAP1NFE2L2TSHRATM
SCHEMBL6518772 0.85 HCAR2 (0.52) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL17048352 0.84 HCAR2 (0.62) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL17048353 0.84 HCAR2 (0.62) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL6519152 0.84 ATM (0.44) HCAR2KEAP1NFE2L2TSHRATM
SCHEMBL4641698 0.82 HCAR2 (0.48) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL6515133 0.82 HCAR2 (0.48) HCAR2KEAP1NFE2L2TSHRATM
SCHEMBL4641694 0.82 HCAR2 (0.48) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL4646886 0.82 HCAR2 (0.48) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL2627702 0.82 HCAR2 (0.59) HCAR2KEAP1NFE2L2ATMMAPT

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
WO-2016061393-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2016-04-21 WO disclosed
US-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed
US-20030118544-A1 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-06-26 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-20030118544-A1 Antifouling coating composition and novel resin COL1A1, GLRA1, COL2A1 HCAR2 3143/4885KEAP1 1276/4885NFE2L2 2412/4885

“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.