SCHEMBL7641963

SCHEMBL7641963

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.56
ATM Q13315 1/20 0.37
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL5342266 1.00 HCAR2 (0.56) HCAR2ATMKDM4EALDH1A1GAA
SCHEMBL17871682 0.93 HCAR2 (0.44) HCAR2ATMTSHR
SCHEMBL5342251 0.93 HCAR2 (0.44) HCAR2ATMTSHR
SCHEMBL2890711 0.90 HCAR2 (0.59) HCAR2ATMTSHR
SCHEMBL28420840 0.90 HCAR2 (0.59) HCAR2ATMTSHR
SCHEMBL28433543 0.87 HCAR2 (0.61) HCAR2ATM
SCHEMBL4880509 0.85 HCAR2 (0.59) HCAR2ATMKDM4EALDH1A1GAA
SCHEMBL2897728 0.85 HCAR2 (0.59) HCAR2ATMKDM4EALDH1A1GAA
SCHEMBL27889587 0.84 HCAR2 (0.36) HCAR2ATM
SCHEMBL2898516 0.81 ATM (0.53) HCAR2ATMALDH1A1TSHR

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 3076/4885KDM4E 543/4885

“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.