SCHEMBL18135135

SCHEMBL18135135

O=C(/C=C/C(=O)Oc1c[nH]c(=O)[nH]c1=O)OCCc1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.35
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL17991891 0.92 HCAR2 (0.40) HCAR2HTTSMN1; SMN2GAA
SCHEMBL18029528 0.86 HCAR2 (0.36) HCAR2HTTSMN1; SMN2GAA
SCHEMBL17991875 0.86 HCAR2 (0.49) HCAR2
SCHEMBL17991886 0.86 ALDH1A1 (0.47) HCAR2
SCHEMBL17991872 0.85 HTT (0.36) HCAR2HTTSMN1; SMN2
SCHEMBL17991873 0.85 KMT2A (0.43) HCAR2HTTSMN1; SMN2
SCHEMBL17991909 0.83 HTT (0.40) HTTSMN1; SMN2GAA
SCHEMBL17991917 0.83 GAA (0.45) HTTSMN1; SMN2GAA
SCHEMBL17991871 0.82 HTT (0.34) HCAR2HTTSMN1; SMN2
SCHEMBL17991868 0.82 HPGD (0.49) HCAR2HTTSMN1; SMN2GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160297770-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2016-10-13 — — 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-20160297770-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885HTT 5/4885SMN1; SMN2 79/4885

“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.

Send feedback