SCHEMBL4381728

SCHEMBL4381728

COCOc1cc(OCOC)c(-c2ccccc2)c(C=CC(C)=O)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
KDM4E B2RXH2 1/20 0.37
BACE1 P56817 4/20 0.37
GLA P06280 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FDPS P14324 1/20 0.36
MAPT P10636 1/20 0.35
APP P05067 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALK Q9UM73 3/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
FYN P06241 1/20 0.32

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
SCHEMBL4381724 1.00 EGFR (0.40) EGFRKDM4EBACE1GLATDP1
SCHEMBL4381464 0.90 EGFR (0.40) EGFRKDM4EBACE1FDPSMAPT
SCHEMBL4381463 0.90 EGFR (0.40) EGFRKDM4EBACE1FDPSMAPT
SCHEMBL4384819 0.83 EGFR (0.40) EGFRKDM4EMAPTALKCHEK1
SCHEMBL4385854 0.78 EGFR (0.48) EGFRKDM4ECYP2C19
SCHEMBL4382817 0.78 KDM4E (0.44) EGFRKDM4EBACE1GLATDP1
SCHEMBL4382816 0.78 KDM4E (0.44) EGFRKDM4EBACE1GLATDP1
SCHEMBL4387376 0.77 EGFR (0.43) EGFRKDM4ECYP3A4CYP2C19ALK
SCHEMBL4386648 0.77 EGFR (0.45) EGFRKDM4ETDP1MAPTCYP3A4
SCHEMBL4380965 0.76 EGFR (0.42) EGFRKDM4E

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 624/4885KDM4E 3223/4885BACE1 3031/4885

“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.