SCHEMBL4384819

SCHEMBL4384819

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
AR P10275 5/20 0.33
ERN1 O75460 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
ABL1 P00519 1/20 0.31

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 0.83 EGFR (0.40) EGFRMAPTKDM4ECHEK1AURKA
SCHEMBL4381728 0.83 EGFR (0.40) EGFRMAPTKDM4ECHEK1AURKA
SCHEMBL4386648 0.83 EGFR (0.45) EGFRALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL4381463 0.82 EGFR (0.40) EGFRALDH1A1MAPTKMT2AKDM4E
SCHEMBL4381464 0.82 EGFR (0.40) EGFRALDH1A1MAPTKMT2AKDM4E
SCHEMBL4389314 0.82 EGFR (0.38) EGFRALDH1A1MAPTMEN1KMT2A
SCHEMBL4386095 0.80 EGFR (0.40) EGFRALDH1A1MAPTMEN1KMT2A
SCHEMBL4389199 0.79 EGFR (0.39) EGFRALDH1A1KDM4EHPGD
SCHEMBL4382088 0.79 EGFR (0.42) EGFRMAPTMEN1KMT2A
SCHEMBL4385854 0.78 EGFR (0.48) EGFRALDH1A1KDM4ELMNAHPGD

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 624/4885ALDH1A1 3520/4885MAPT 2443/4885

“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.