SCHEMBL801618

SCHEMBL801618

Cc1ccc(C(=O)c2coc3c2C(=O)C(=O)C=C3)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 8/20 0.74
KDM5A P29375 1/20 0.65
KMT2A Q03164 5/20 0.58
MAPT P10636 5/20 0.58
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 4/20 0.58
KDM4E B2RXH2 3/20 0.58
NPSR1 Q6W5P4 3/20 0.58
HPGD P15428 3/20 0.58
USP2 O75604 1/20 0.58
HSP90AA1 P07900 1/20 0.58
NR4A1 P22736 1/20 0.54
NPC1 O15118 1/20 0.44
HTT P42858 4/20 0.43
HKDC1 Q2TB90 3/20 0.43
LMNA P02545 3/20 0.43
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
CDC25C P30307 1/20 0.43
MPI P34949 1/20 0.43

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
SCHEMBL290186 0.85 PDF (1.00) PDFKDM5AKMT2AMAPTALDH1A1
SCHEMBL783241 0.85 PDF (1.00) PDFKDM5AKMT2AMAPTALDH1A1
SCHEMBL13077079 0.80 PDF (0.69) PDFKDM5AKMT2AMAPTALDH1A1
SCHEMBL801217 0.79 KDM5A (1.00) PDFKDM5AKMT2AMAPTALDH1A1
SCHEMBL801284 0.75 PDF (0.66) PDFMAPT
SCHEMBL973754 0.72 PDF (0.50) PDFKDM5AMAPTTDP1
SCHEMBL801226 0.70 NR4A1 (1.00) PDFKDM5AKMT2AMAPTALDH1A1
SCHEMBL16994913 0.66 KDM5A (0.78) PDFKDM5AKMT2AMAPTALDH1A1
SCHEMBL290235 0.65 PDF (1.00) PDFKDM5AKMT2AMAPTMEN1
SCHEMBL13077081 0.65 PDF (0.77) PDFKDM5AKMT2AMAPTKDM4E

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-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-03-22 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-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS PDF, EIF5B, EIF4E PDF 1/4885KDM5A 245/4885KMT2A 3066/4885

“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.