SCHEMBL4379880

SCHEMBL4379880

CCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CC(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.42
CA9 Q16790 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CLCN2 P51788 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 2/20 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
RELA Q04206 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
SCHEMBL4389156 0.91 EGFR (0.46) EGFRKDM4EALDH1A1MEN1MAPT
SCHEMBL4386776 0.90 EGFR (0.43) EGFRKDM4EMEN1KMT2ACLCN2
SCHEMBL4379307 0.89 TSHR (0.38) EGFRKDM4EALDH1A1MAPTTHRB
SCHEMBL4379731 0.89 ESR1 (0.38) EGFR
SCHEMBL4384148 0.88 EGFR (0.40) EGFRCA9KDM4EALDH1A1MEN1
SCHEMBL4393857 0.88 EGFR (0.44) EGFRKDM4EALDH1A1MEN1MAPT
SCHEMBL4385025 0.88 TSHR (0.44) KDM4EALDH1A1MAPTKMT2ACYP1A2
SCHEMBL4380278 0.87 HPGD (0.42) KDM4EALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL4389125 0.85 EGFR (0.42) EGFRKDM4EALDH1A1MEN1MAPT
SCHEMBL4390345 0.85 EGFR (0.43) EGFRKDM4EALDH1A1MEN1MAPT

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 EGFR 624/4885CA9 1812/4885KDM4E 3223/4885

“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.