SCHEMBL4388730

SCHEMBL4388730

COCOc1cc(OCOC)c(-c2ccc(CCC(=O)OC)o2)c(CC(=O)OC)c1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
KDM4E B2RXH2 5/20 0.34
MAPT P10636 4/20 0.34
PKM P14618 4/20 0.34
HSD17B10 Q99714 4/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 2/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
DDAH1 O94760 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
POLB P06746 2/20 0.30

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
SCHEMBL4394113 0.94 MAPT (0.33) ALDH1A1KDM4EMAPTPKMHSD17B10
SCHEMBL4384159 0.84 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL4392077 0.81 MAPT (0.35) ALDH1A1KDM4EMAPTPKMHSD17B10
SCHEMBL4381365 0.81 FDPS (0.32) ALDH1A1KDM4EMAPTPKMHPGD
SCHEMBL4381362 0.81 FDPS (0.32) ALDH1A1KDM4EMAPTPKMHPGD
SCHEMBL4392073 0.81 MAPT (0.35) ALDH1A1KDM4EMAPTPKMHSD17B10
SCHEMBL4389142 0.80 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTPKMHSD17B10
SCHEMBL4379675 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL4381375 0.77 HSP90AB1 (0.39) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL4390372 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTPKMHSD17B10

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 3520/4885KDM4E 3223/4885MAPT 2443/4885

“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.