SCHEMBL4387409

SCHEMBL4387409

COC(=O)Cc1cc(O)cc(O)c1-c1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
ERN1 O75460 1/20 0.43
CYP3A4 P08684 1/20 0.42
TP53 P04637 2/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL2862121 0.80 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL4381689 0.78 MEN1 (0.45) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL4386486 0.78 ACLY (0.47) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL4388539 0.78 HSP90AB1 (0.46) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL6025217 0.78 CCNC (0.45) ALDH1A1ERN1HSP90AB1EGFR
SCHEMBL4387171 0.77 HSD17B1 (0.44) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL4381523 0.76 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL4382035 0.75 HDAC4 (0.46) ALDH1A1KDM4ESMN1; SMN2HPGDERN1
SCHEMBL29226566 0.74 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL30928210 0.74 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P MEN1 4784/4885KMT2A 3994/4885ALDH1A1 3520/4885

“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.