SCHEMBL5659514

SCHEMBL5659514

C=CCOCc1cc2c(C=O)cc(OC)c(OC)c2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA13 Q8N1Q1 2/20 0.36
ERN1 O75460 2/20 0.36
CA2 P00918 1/20 0.36
TUBB1 Q9H4B7 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 1/20 0.35
TNFRSF1A P19438 1/20 0.33
PRKDC P78527 1/20 0.33
RELA Q04206 1/20 0.32
MCL1 Q07820 1/20 0.32
MAPT P10636 2/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL5659515 0.81 KDM4E (0.41) PTGS1PTGS2CA12CA1CA7
SCHEMBL5660900 0.81 CYP3A4 (0.35) PTGS1PTGS2CA12CA1CA7
SCHEMBL5660258 0.81 TUBB1 (0.43) CA12CA1CA7CA9CA13
SCHEMBL5656339 0.78 LMNA (0.43) CA12CA1CA7CA9CA13
SCHEMBL5659475 0.76 ALDH1A1 (0.48) CA12CA1CA7CA9CA13
SCHEMBL5657689 0.76 CA12 (0.38) CA12CA1CA7CA9CA13
SCHEMBL5657441 0.75 TUBB1 (0.43) CA12CA1CA7CA9CA13
SCHEMBL5660910 0.74 GPR55 (0.46) CA12CA1CA7CA9CA13
SCHEMBL5657738 0.72 ALDH1A1 (0.42) CA12CA1CA7CA9CA13
SCHEMBL5659231 0.72 HTT (0.39) ERN1ALDH1A1KDM4ETSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030130-B2 Benzofuran derivatives and their use as antibacterial agents ARPIDA AG (CH) 2006-04-18 US disclosed
EP-1307445-B1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ARPIDA AG (CH) 2005-12-21 EP disclosed
US-20040034047-A1 Benzofuran derivatives and their use as antibacterial agents EVOLVA SA (CH) 2004-02-19 US disclosed
EP-1307445-A1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Arpida AG, (CH) 2003-05-07 EP disclosed
WO-2002010157-A1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ARPIDA AG (CH) 2002-02-07 WO 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-20040034047-A1 Benzofuran derivatives and their use as antibacterial agents SBDS, BPTF, DCXR PTGS1 860/4885PTGS2 1004/4885CA12 4847/4885

“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.