SCHEMBL4387376

SCHEMBL4387376

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.35
CD274 Q9NZQ7 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
KMT2A Q03164 2/20 0.33
PTPN1 P18031 1/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CAPN1 P07384 1/20 0.33
CLCN2 P51788 1/20 0.33
XDH P47989 1/20 0.33
HK2 P52789 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
STAT1 P42224 1/20 0.32
RAB9A P51151 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
SCHEMBL4385950 0.91 EGFR (0.43) EGFRPTGDR2KMT2AMEN1CAPN1
SCHEMBL4381129 0.89 EGFR (0.42) EGFRKMT2AMEN1CAPN1
SCHEMBL4389125 0.89 EGFR (0.42) EGFRKMT2AMEN1CAPN1CLCN2
SCHEMBL4378298 0.88 EGFR (0.41) EGFRL3MBTL1CD274PTGDR2PTPN1
SCHEMBL4379975 0.88 EGFR (0.41) EGFRCD274KMT2AMEN1CAPN1
SCHEMBL4386978 0.87 EGFR (0.40) EGFRCD274KMT2AMEN1ALDH1A1
SCHEMBL4380690 0.86 EGFR (0.40) EGFRL3MBTL1CD274KMT2AMEN1
SCHEMBL4387418 0.85 EGFR (0.44) EGFRL3MBTL1CD274PTGDR2KMT2A
SCHEMBL4382230 0.85 EGFR (0.36) EGFR
SCHEMBL4382233 0.85 EGFR (0.36) EGFR

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 624/4885L3MBTL1 3218/4885CD274 2969/4885

“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.