SCHEMBL4381689

SCHEMBL4381689

COC(=O)Cc1cc(O)cc(O)c1-c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 3/20 0.45
TP53 P04637 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
SLC5A1 P13866 2/20 0.45
SLC5A2 P31639 2/20 0.45
EGFR P00533 1/20 0.44
HSP90AB1 P08238 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
CYP3A4 P08684 2/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL4381578 0.87 GPR84 (0.44) SMN1; SMN2EGFRHSP90AB1HPGD
SCHEMBL4386486 0.86 ACLY (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4387297 0.86 MEN1 (0.46) MEN1KMT2ASMN1; SMN2EGFRHSP90AB1
SCHEMBL4388539 0.86 HSP90AB1 (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4382035 0.85 HDAC4 (0.46) SMN1; SMN2EGFRHSP90AB1ALDH1A1HPGD
SCHEMBL4387171 0.85 HSD17B1 (0.44) MEN1KMT2ASMN1; SMN2TP53EGFR
SCHEMBL6025217 0.83 CCNC (0.45) EGFRHSP90AB1ALDH1A1CYP11B1CYP11B2
SCHEMBL2859379 0.80 SLC5A1 (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4387409 0.78 MEN1 (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL30336005 0.77 POLB (0.64) NPC1RAB9AMAPK1EGFRHSP90AB1

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 3994/4885NPC1 1090/4885

“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.