SCHEMBL21648869

SCHEMBL21648869

CCCOCCC(=O)NCCN1C(=O)C=CC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.45
PTGS1 P23219 7/20 0.39
PTGS2 P35354 7/20 0.39
FAAH O00519 1/20 0.39
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
WRN Q14191 1/20 0.37
HIF1A Q16665 1/20 0.37
AKT1 P31749 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
MTNR1A P48039 3/20 0.35

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
SCHEMBL12181821 0.99 MGLL (0.47) MGLLPTGS1PTGS2FAAHHPGD
SCHEMBL24916800 0.99 MGLL (0.47) MGLLPTGS1PTGS2FAAHHPGD
SCHEMBL20272155 0.94 MGLL (0.45) MGLLPTGS1PTGS2FAAHHPGD
SCHEMBL30180642 0.90 MGLL (0.47) MGLLPTGS1PTGS2HPGDALDH1A1
SCHEMBL751108 0.89 MGLL (0.45) MGLLPTGS1PTGS2FAAHHPGD
SCHEMBL13401579 0.87 MGLL (0.47) MGLLPTGS1PTGS2FAAHHPGD
SCHEMBL13311214 0.87 MGLL (0.47) MGLLPTGS1PTGS2FAAHHPGD
SCHEMBL24621630 0.87 MGLL (0.47) MGLLPTGS1PTGS2FAAHHPGD
SCHEMBL45879 0.87 MGLL (0.47) MGLLPTGS1PTGS2FAAHHPGD
SCHEMBL19703723 0.87 MGLL (0.56) MGLLPTGS1PTGS2FAAHHPGD

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
US-11857638-B2 Quinone-containing conjugates PROMEGA CORPORATION (US) 2024-01-02 US disclosed
US-20200030456-A1 QUINONE-CONTAINING CONJUGATES PROMEGA CORPORATION 2020-01-30 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 (2 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-20200030456-A1 QUINONE-CONTAINING CONJUGATES NQO1, NQO2, SQOR MGLL 4683/4885PTGS1 2095/4885PTGS2 2098/4885
US-11857638-B2 Quinone-containing conjugates NQO1, NQO2, SQOR MGLL 4683/4885PTGS1 2095/4885PTGS2 2098/4885

“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.