SCHEMBL4394076

SCHEMBL4394076

COC(=O)Cc1c(Br)c(O)cc(O)c1-c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 5/20 0.42
HPGD P15428 4/20 0.42
KDM4E B2RXH2 7/20 0.38
MAPT P10636 5/20 0.38
NPSR1 Q6W5P4 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
ADORA1 P30542 1/20 0.38
KMT2A Q03164 4/20 0.37
GAA P10253 4/20 0.37
CASP1 P29466 3/20 0.37
CASP7 P55210 3/20 0.37
GLA P06280 2/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL4378161 0.82 POLB (0.49) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL4396312 0.82 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL4387465 0.81 SMN1; SMN2 (0.41) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL4382842 0.80 MEN1 (0.35) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL4379801 0.79 L3MBTL1 (0.43) ALDH1A1HPGDKDM4EGAAL3MBTL1
SCHEMBL4393970 0.78 ALDH1A1 (0.42) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL4379675 0.78 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL4384857 0.77 EGFR (0.42) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL4389142 0.76 ALDH1A1 (0.37) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL4387053 0.75 MAPT (0.36) ALDH1A1HSD17B10HPGDKDM4EMAPT

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 ALDH1A1 3520/4885HSD17B10 405/4885HPGD 3238/4885

“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.