SCHEMBL4390433

SCHEMBL4390433

CCC(C(=O)OC)c1cc(OCOC)cc(OCOC)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
GAA P10253 2/20 0.32
RAB9A P51151 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
BACE1 P56817 1/20 0.31
GRM5 P41594 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 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
SCHEMBL4385092 0.85 CAPN1 (0.31) CAPN1LMNAL3MBTL1TDP1BACE1
SCHEMBL4381377 0.84 HDAC8 (0.33) CAPN1MAPTKDM4EALDH1A1CYP3A4
SCHEMBL4381644 0.82 HDAC8 (0.32) CAPN1MAPTKDM4EALDH1A1HDAC8
SCHEMBL4379885 0.80 EGFR (0.40) CAPN1MAPTKDM4EALDH1A1GAA
SCHEMBL4379314 0.78 RXRA (0.37) CAPN1MAPTGAA
SCHEMBL4382894 0.76 KDM4E (0.36) MAPTKDM4EGAAL3MBTL1RECQL
SCHEMBL4379734 0.76 KDR (0.35) CAPN1MAPTKDM4EBACE1HPGD
SCHEMBL4385029 0.76 AKR1C3 (0.41) CAPN1MAPTKDM4EALDH1A1CYP3A4
SCHEMBL4378990 0.75 HDAC3 (0.32) HDAC8
SCHEMBL4383645 0.73 CAPN1 (0.32) CAPN1HDAC8BACE1GRM5

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 CAPN1 1225/4885MAPT 2443/4885KDM4E 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.