SCHEMBL4380967

SCHEMBL4380967

COCOc1cc(OCOC)c(-c2ccco2)c(CC(=O)O)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
P2RX3 P56373 1/20 0.34
POLB P06746 2/20 0.34
CTDSP1 Q9GZU7 2/20 0.34
PPARD Q03181 2/20 0.33
F2 P00734 2/20 0.33
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
F12 P00748 1/20 0.33
EGFR P00533 1/20 0.33
PTPN1 P18031 1/20 0.32
SLC26A3 P40879 1/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
PLAU P00749 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
SCHEMBL4379675 0.90 ALDH1A1 (0.39) L3MBTL1TDP1P2RX3POLBF2
SCHEMBL4379960 0.86 ALDH1A1 (0.39) L3MBTL1TDP1P2RX3POLBKDM4E
SCHEMBL4382100 0.85 LMNA (0.41) L3MBTL1TDP1POLBKDM4EKMT2A
SCHEMBL4386738 0.84 ALDH1A1 (0.38) TDP1POLBKDM4EKMT2AMAPT
SCHEMBL4379978 0.84 PLAU (0.33) L3MBTL1P2RX3F2MAPTALDH1A1
SCHEMBL4385713 0.83 POLB (0.46) L3MBTL1TDP1POLBKDM4EKMT2A
SCHEMBL4381067 0.82 PLAU (0.31) TDP1P2RX3KDM4EKMT2AMAPT
SCHEMBL4385950 0.82 EGFR (0.43) PTGS1POLBKDM4EKMT2AMAPT
SCHEMBL4387376 0.74 EGFR (0.43) L3MBTL1KDM4EKMT2AALDH1A1EGFR
SCHEMBL4389125 0.73 EGFR (0.42) TDP1KDM4EKMT2AMAPTALDH1A1

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 L3MBTL1 3218/4885TDP1 2978/4885ALOX5 4819/4885

“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.