SCHEMBL805344

SCHEMBL805344

BC1=C(BC)c2occ(C(=O)c3ccc(C(=O)O)cc3)c2C(=O)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
HKDC1 Q2TB90 2/20 0.49
LMNA P02545 1/20 0.49
CDC25A P30304 1/20 0.49
CDC25B P30305 1/20 0.49
CDC25C P30307 1/20 0.49
MPI P34949 1/20 0.49
NPSR1 Q6W5P4 3/20 0.48
NR4A1 P22736 1/20 0.48
USP2 O75604 1/20 0.48
HSP90AA1 P07900 1/20 0.48
PDF Q9HBH1 13/20 0.47
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL13076487 0.84 MAPT (0.56) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL805353 0.81 KDM4E (0.41) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL13076832 0.80 MAPT (0.59) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL13076408 0.77 MAPT (0.68) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL13076411 0.74 NR4A1 (0.62) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL290169 0.74 PDF (0.82) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL290557 0.74 PDF (0.72) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL16994955 0.74 MAPT (0.52) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL13077067 0.71 MAPT (0.49) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL805347 0.71 PDF (0.57) MAPTMEN1ALDH1A1KMT2AKDM4E

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 MAPT 3128/4885MEN1 2230/4885ALDH1A1 3464/4885

“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.