SCHEMBL5656669

SCHEMBL5656669

COc1cc(CO)c2cc(Cc3ccccc3)oc2c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
GPR55 Q9Y2T6 3/20 0.44
CNR2 P34972 3/20 0.44
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 2/20 0.40
TUBB4A P04350 3/20 0.39
TUBB P07437 3/20 0.39
TUBA3C P0DPH7 3/20 0.39
TUBA1B P68363 3/20 0.39
TUBA4A P68366 3/20 0.39
TUBB4B P68371 3/20 0.39
TUBB3 Q13509 3/20 0.39
TUBB2A Q13885 3/20 0.39
TUBB8 Q3ZCM7 3/20 0.39
TUBA3E Q6PEY2 3/20 0.39

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
SCHEMBL5659115 0.93 TUBB4A (0.41) KDM4EALDH1A1HTTPOLBGAA
SCHEMBL5659220 0.89 TUBB4A (0.43) ALDH1A1CNR2TUBB4ATUBBTUBA3C
SCHEMBL5659886 0.88 GPR55 (0.46) KDM4EALDH1A1HTTPOLBGAA
SCHEMBL5657720 0.81 KDM4E (0.46) KDM4EALDH1A1HTTPOLBGAA
SCHEMBL5659475 0.80 ALDH1A1 (0.48) KDM4EALDH1A1HTTPOLBGAA
SCHEMBL5661044 0.80 ACHE (0.54) KDM4EALDH1A1GAAHPGDTUBB4A
SCHEMBL5659091 0.78 KDM4E (0.37) KDM4EALDH1A1HTTPOLBGAA
SCHEMBL5659089 0.78 KDM4E (0.37) KDM4EALDH1A1HTTPOLBGAA
SCHEMBL5656011 0.78 MCL1 (0.39) KDM4EALDH1A1POLBGAAMCL1
SCHEMBL5658141 0.78 DHFR (0.55) ALDH1A1HTTSMN1; SMN2

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 6 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
WO-2002010156-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 KDM4E 1540/4885ALDH1A1 1365/4885HTT 3152/4885

“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.