SCHEMBL4394964

SCHEMBL4394964

COCCc1c(Br)c(OCOC)cc(OCOC)c1-c1cccc(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.43
PTPN11 Q06124 2/20 0.42
ERN1 O75460 1/20 0.38
NR1H4 Q96RI1 2/20 0.36
KMT2A Q03164 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
PTGER1 P34995 2/20 0.36
KMO O15229 1/20 0.36
XDH P47989 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL4385704 0.90 FYN (0.43) EGFRERN1
SCHEMBL2864914 0.85 EGFR (0.37) EGFR
SCHEMBL4386967 0.82 CLK4 (0.37) ERN1LMNA
SCHEMBL4384874 0.81 MAOA (0.35) EGFRLMNA
SCHEMBL4388904 0.80 ERN1 (0.40) PTPN11ERN1NR1H4KMT2AKMO
SCHEMBL4384793 0.79 EGFR (0.35) EGFRKMT2ALMNA
SCHEMBL2867402 0.78 EGFR (0.39) EGFRLMNA
SCHEMBL4379783 0.78 EGFR (0.36) EGFRKMT2ALMNAGAA
SCHEMBL4386995 0.78 EGFR (0.36) EGFR
SCHEMBL4378298 0.77 EGFR (0.41) EGFRLMNA

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 624/4885PTPN11 440/4885ERN1 1073/4885

“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.