SCHEMBL4383640

SCHEMBL4383640

COCOc1cc(OCOC)c(I)c(CC(=O)OC)c1Br

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.34
EGFR P00533 6/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
BACE1 P56817 2/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
MAPT P10636 2/20 0.31
XDH P47989 1/20 0.30
GAA P10253 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 1/20 0.30
GFER P55789 1/20 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
SCHEMBL4381375 0.90 HSP90AB1 (0.39) HSP90AB1EGFRALDH1A1KDM4EHPGD
SCHEMBL4385087 0.83 HSP90AB1 (0.34) HSP90AB1EGFRALDH1A1KDM4EHPGD
SCHEMBL4390428 0.83 HSP90AB1 (0.34) HSP90AB1EGFRALDH1A1KDM4EHPGD
SCHEMBL4381629 0.82 HSP90AB1 (0.33) HSP90AB1EGFRALDH1A1KDM4EHPGD
SCHEMBL4390345 0.78 EGFR (0.43) EGFRALDH1A1KDM4EHPGDLMNA
SCHEMBL4389125 0.78 EGFR (0.42) EGFRALDH1A1KDM4EHPGDMAPT
SCHEMBL4378277 0.77
SCHEMBL2859821 0.75 AKR1C3 (0.41) ALDH1A1HPGDLMNABACE1MAPT
SCHEMBL2859155 0.75 MAPT (0.42) ALDH1A1KDM4ELMNABACE1MAPT
SCHEMBL4379675 0.74 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10MAPT

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 HSP90AB1 1/4885EGFR 624/4885ALDH1A1 3520/4885

“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.