SCHEMBL7643553

SCHEMBL7643553

C=CCOC(C)OC(=O)/C=C\C(=O)OC(C)OCC=C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.41
MAPT P10636 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL4449417 1.00 HCAR2 (0.41) HCAR2MAPTCACNA1BAPBA1TSHR
SCHEMBL4449424 0.93 HCAR2 (0.53) HCAR2MAPTCACNA1BAPBA1TSHR
SCHEMBL7198717 0.93 HCAR2 (0.53) HCAR2MAPTCACNA1BAPBA1TSHR
SCHEMBL7196478 0.93 HCAR2 (0.53) HCAR2MAPTCACNA1BAPBA1TSHR
SCHEMBL1886950 0.88 TSHR (0.44) MAPTCACNA1BAPBA1TSHRTDP1
SCHEMBL10482082 0.83 TDP1 (0.37) TSHRTDP1
SCHEMBL10482085 0.82 TDP1 (0.36) TSHRTDP1
SCHEMBL141387 0.82 TSHR (0.41) MAPTTSHRTDP1
SCHEMBL4277441 0.80 TDP1 (0.39) TSHRTDP1
SCHEMBL1173040 0.80 TSHR (0.38) MAPTCACNA1BAPBA1TSHRTDP1

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 750/4885MAPT 1722/4885CACNA1B 4196/4885

“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.