SCHEMBL4390501

SCHEMBL4390501

COC(=O)Cc1cc(O)cc(O)c1-c1cccc(CO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.48
HSP90AB1 P08238 1/20 0.43
ACMSD Q8TDX5 1/20 0.42
CFD P00746 1/20 0.42
EGFR P00533 2/20 0.41
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
GFER P55789 1/20 0.38
DHODH Q02127 1/20 0.38
SLC7A5 Q01650 1/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL4384048 0.86 FFAR1 (0.50)
SCHEMBL4378621 0.86 HSP90AB1 (0.40) HSP90AB1CFDEGFRALDH1A1GAA
SCHEMBL4388539 0.84 HSP90AB1 (0.46) CNR2HSP90AB1CFDEGFRALDH1A1
SCHEMBL4382035 0.84 HDAC4 (0.46) HSP90AB1EGFRALDH1A1MTNR1AMTNR1B
SCHEMBL4384676 0.82 CFD (0.42) CNR2HSP90AB1CFDEGFRALDH1A1
SCHEMBL4386486 0.82 ACLY (0.47) CNR2HSP90AB1EGFRALDH1A1GAA
SCHEMBL4389848 0.81 VEGFA (0.47) HSP90AB1CFDEGFRALDH1A1GAA
SCHEMBL4388872 0.81 CNR2 (0.49) CNR2HSP90AB1EGFR
SCHEMBL4387490 0.81 CFD (0.40) CNR2HSP90AB1CFDEGFRALDH1A1
SCHEMBL4383975 0.80 ALDH1A1 (0.48) ALDH1A1GAAHPGDRAB9ASMN1; 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 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 CNR2 1898/4885HSP90AB1 1/4885ACMSD 4292/4885

“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.