SCHEMBL4386738

SCHEMBL4386738

COCOc1cc(OCOC)c(-c2ccco2)c(CC(=O)N2CCCC2)c1Br

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 5/20 0.38
HPGD P15428 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 3/20 0.36
EIF4H Q15056 1/20 0.36
HSD17B10 Q99714 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4380967 0.84 L3MBTL1 (0.36) ALDH1A1KMT2AKDM4EMAPTTDP1
SCHEMBL4379675 0.83 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL4379960 0.80 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL4382100 0.79 LMNA (0.41) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL4379978 0.78 PLAU (0.33) ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL4393970 0.78 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL4385713 0.77 POLB (0.46) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL4381067 0.77 PLAU (0.31) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL4387376 0.66 EGFR (0.43) ALDH1A1KMT2AKDM4ERAB9ANPC1
SCHEMBL4384082 0.66 L3MBTL1 (0.34) ALDH1A1KMT2AKDM4EMAPTTDP1

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 3520/4885KMT2A 3994/4885KDM4E 3223/4885

“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.