SCHEMBL4383736

SCHEMBL4383736

COC(=O)CCc1c(Br)c(O)cc(O)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.43
TSHR P16473 1/20 0.41
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
ESRRB O95718 1/20 0.39
HSP90B1 P14625 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CNR2 P34972 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE4B Q07343 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4379801 0.86 L3MBTL1 (0.43) TSHREGFRTDP1CNR2L3MBTL1
SCHEMBL4392012 0.85 MAPT (0.44) HSP90B1CNR2L3MBTL1PDE4BPDE4A
SCHEMBL4381978 0.81 PDE4B (0.40) TSHRCNR2PDE4BPDE4APDE4C
SCHEMBL4385993 0.79 L3MBTL1 (0.48) TSHREGFRTDP1CNR2L3MBTL1
SCHEMBL4387184 0.78 CNR2 (0.39) CNR2L3MBTL1PDE4BPDE4APDE4C
SCHEMBL4386929 0.78 TAAR1 (0.40) TSHRL3MBTL1PDE4BPDE4APDE4C
SCHEMBL4386433 0.77 BACE1 (0.39) TDP1CNR2PDE4BPDE4APDE4C
SCHEMBL4388252 0.77 ADRB2 (0.42) L3MBTL1PDE4BPDE4APDE4CPDE4D
SCHEMBL4388905 0.77 HPGD (0.37) PTPN1CNR2KDM4EMEN1ALDH1A1
SCHEMBL4394868 0.77 TYR (0.39) CNR2PDE4BPDE4APDE4CPDE4D

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 PTPN1 453/4885TSHR 487/4885EGFR 624/4885

“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.