SCHEMBL4381464

SCHEMBL4381464

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 1/20 0.39
BACE1 P56817 4/20 0.39
FDPS P14324 1/20 0.37
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 1/20 0.36
IP6K2 Q9UHH9 1/20 0.36
MAPT P10636 2/20 0.35
NR1H4 Q96RI1 2/20 0.35
MMP1 P03956 1/20 0.34
EPHX2 P34913 1/20 0.34
JAK2 O60674 2/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
FYN P06241 1/20 0.34

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
SCHEMBL4381463 1.00 EGFR (0.40) EGFRKDM4ESMN1; SMN2KMT2ABACE1
SCHEMBL4381724 0.90 EGFR (0.40) EGFRKDM4EBACE1FDPSMAPT
SCHEMBL4381728 0.90 EGFR (0.40) EGFRKDM4EBACE1FDPSMAPT
SCHEMBL4384819 0.82 EGFR (0.40) EGFRKDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL4384288 0.78 BACE1 (0.45) EGFRKDM4ESMN1; SMN2KMT2ABACE1
SCHEMBL4384292 0.78 BACE1 (0.45) EGFRKDM4ESMN1; SMN2KMT2ABACE1
SCHEMBL4381967 0.77 LMNA (0.44) EGFRKDM4ESMN1; SMN2KMT2AMAPT
SCHEMBL4385854 0.77 EGFR (0.48) EGFRKDM4EALDH1A1
SCHEMBL4390195 0.76 EGFR (0.40) EGFRKDM4EKMT2AMAPTALDH1A1
SCHEMBL4386648 0.76 EGFR (0.45) EGFRKDM4ESMN1; SMN2MAPTALDH1A1

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 3223/4885SMN1; SMN2 4471/4885

“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.