SCHEMBL7644489

SCHEMBL7644489

CCCOC(C)(OCCC)OC(=O)C=CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.56
ATM Q13315 1/20 0.37
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL7644479 1.00 HCAR2 (0.56) HCAR2ATMTSHRTP53EGLN1
SCHEMBL7644476 0.93 HCAR2 (0.44) HCAR2ATMTSHRALDH1A1MAPT
SCHEMBL7086292 0.85 HCAR2 (0.53) HCAR2ATMTSHRTP53EGLN1
SCHEMBL7088991 0.85 HCAR2 (0.53) HCAR2ATMTSHRTP53EGLN1
SCHEMBL7086300 0.85 HCAR2 (0.53) HCAR2ATMTSHRTP53EGLN1
SCHEMBL7644005 0.77 HCAR2 (0.40) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL7644000 0.77 HCAR2 (0.40) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL7088989 0.77 HCAR2 (0.40) HCAR2ATM
SCHEMBL7086291 0.77 HCAR2 (0.40) HCAR2ATM
SCHEMBL1880532 0.75 HCAR2 (0.54) HCAR2TSHRTP53EGLN1EGLN3

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 3076/4885TSHR 4711/4885

“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.