SCHEMBL7644476

SCHEMBL7644476

CCCOC(C)(OCCC)OC(=O)/C=C\C(=O)OC(C)(OCCC)OCCC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.44
ATM Q13315 1/20 0.42
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL7644489 0.93 HCAR2 (0.56) HCAR2ATMMAPTTSHRALDH1A1
SCHEMBL7644479 0.93 HCAR2 (0.56) HCAR2ATMMAPTTSHRALDH1A1
SCHEMBL7088989 0.83 HCAR2 (0.40) HCAR2ATMNPSR1KEAP1NFE2L2
SCHEMBL7086291 0.83 HCAR2 (0.40) HCAR2ATMNPSR1KEAP1NFE2L2
SCHEMBL7771137 0.80 TSHR (0.42) HCAR2HPGDTSHRALDH1A1
SCHEMBL7088991 0.76 HCAR2 (0.53) HCAR2ATMMAPTKEAP1NFE2L2
SCHEMBL7086292 0.76 HCAR2 (0.53) HCAR2ATMMAPTKEAP1NFE2L2
SCHEMBL7086300 0.76 HCAR2 (0.53) HCAR2ATMMAPTKEAP1NFE2L2
SCHEMBL10613652 0.73 DGKA (0.44) ATMMAPTTSHRALDH1A1
SCHEMBL3672666 0.71 TSHR (0.31) TSHR

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
EP-1176136-A1 PROCESS FOR PRODUCING FUMARIC ESTER Showa Denko K.K. (JP) 2002-01-30 EP disclosed
US-20020002306-A1 Method for producing fumaric acid esters SHOWA DENKO K.K. (JP) 2002-01-03 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-20020002306-A1 Method for producing fumaric acid esters FH, ME1, ME3 HCAR2 750/4885ATM 3076/4885MAPT 1722/4885

“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.