SCHEMBL4388539

SCHEMBL4388539

COC(=O)Cc1cc(O)cc(O)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.46
EGFR P00533 2/20 0.46
ACLY P53396 1/20 0.44
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE4B Q07343 3/20 0.40
GAA P10253 2/20 0.40
PDE4A P27815 2/20 0.40

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
SCHEMBL4386486 0.97 ACLY (0.47) HSP90AB1EGFRACLYNPC1PKM
SCHEMBL4381578 0.90 GPR84 (0.44) HSP90AB1EGFRACLYHPGDSMN1; SMN2
SCHEMBL4381689 0.86 MEN1 (0.45) HSP90AB1EGFRNPC1HPGDRAB9A
SCHEMBL6025217 0.85 CCNC (0.45) HSP90AB1EGFRACLYALDH1A1
SCHEMBL4382035 0.85 HDAC4 (0.46) HSP90AB1EGFRACLYHPGDSMN1; SMN2
SCHEMBL4387171 0.85 HSD17B1 (0.44) HSP90AB1EGFRPKMHPGDSMN1; SMN2
SCHEMBL4390501 0.84 CNR2 (0.48) HSP90AB1EGFRNPC1PKMHPGD
SCHEMBL4384676 0.84 CFD (0.42) HSP90AB1EGFRHPGDALDH1A1CNR2
SCHEMBL4389848 0.83 VEGFA (0.47) HSP90AB1EGFRALDH1A1GAAGFER
SCHEMBL4384048 0.83 FFAR1 (0.50)

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 HSP90AB1 1/4885EGFR 624/4885ACLY 2383/4885

“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.