SCHEMBL4381629

SCHEMBL4381629

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 3/20 0.32
CYP3A4 P08684 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
LMNA P02545 2/20 0.31
EGFR P00533 2/20 0.30
BACE1 P56817 2/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
MAPT P10636 2/20 0.30
PTPN1 P18031 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
XDH P47989 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 0.89 HSP90AB1 (0.39) HSP90AB1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4390428 0.82 HSP90AB1 (0.34) HSP90AB1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4394386 0.82 MAPT (0.33) KDM4ECYP3A4EGFRBACE1MAPT
SCHEMBL4383640 0.82 HSP90AB1 (0.34) HSP90AB1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2859155 0.82 MAPT (0.42) KDM4EALDH1A1CYP3A4NPC1RAB9A
SCHEMBL4388439 0.79 EGFR (0.41) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL4389429 0.78 KCNA3 (0.32) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4389125 0.77 EGFR (0.42) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL4380813 0.74 TSHR (0.41) ALDH1A1CYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL4379675 0.73 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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 1/4885KDM4E 3223/4885ALDH1A1 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.