SCHEMBL4389593

SCHEMBL4389593

CCc1c(OC(C)=O)cc(OC(C)=O)c(-c2ccccc2)c1CCOCCOC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PTGS2 P35354 5/20 0.36
BACE1 P56817 3/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ESR1 P03372 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
HMGB1 P09429 1/20 0.34
GGT1 P19440 1/20 0.34

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
SCHEMBL4386586 0.88 ADORA3 (0.37) MEN1KMT2AKDM4EHPGDTP53
SCHEMBL4390309 0.88 NCEH1 (0.43) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL4382068 0.80 EGFR (0.35) MEN1KMT2ATP53SMN1; SMN2L3MBTL1
SCHEMBL4385454 0.79 ALDH1A1 (0.34) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL4385095 0.79 ESR1 (0.36) ALDH1A1ESR1
SCHEMBL4395183 0.78 SMN1; SMN2 (0.38) MEN1KMT2AKDM4EHPGDTP53
SCHEMBL4384143 0.77 KDM4E (0.36) KDM4EHPGDHSD17B10
SCHEMBL4396290 0.76 HRH3 (0.39) MEN1KMT2AKDM4ETP53ALDH1A1
SCHEMBL4380935 0.75 EGFR (0.39) SMN1; SMN2POLBL3MBTL1
SCHEMBL4379005 0.74 MEN1 (0.34) MEN1KMT2AKDM4ESMN1; SMN2L3MBTL1

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 PDE4A 4374/4885PDE4B 4266/4885PDE4C 4564/4885

“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.