SCHEMBL4382894

SCHEMBL4382894

CCC(C(=O)OC)c1cc(OCOC)cc(OCOC)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
AKR1C3 P42330 4/20 0.36
AKR1C2 P52895 4/20 0.36
AKR1C1 Q04828 1/20 0.36
PTGS1 P23219 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
GRM5 P41594 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
FFAR1 O14842 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL4389167 0.79 GRM5 (0.35) ESR1ESR2GRM5FFAR1MEN1
SCHEMBL4390433 0.76 CAPN1 (0.33) KDM4EGRM5L3MBTL1TDP1MAPT
SCHEMBL4385092 0.76 CAPN1 (0.31) GRM5L3MBTL1TDP1
SCHEMBL2861717 0.75 ESR1 (0.47) KDM4EAKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL28569155 0.73 KDM4E (0.48) KDM4EL3MBTL1TDP1KMT2A
SCHEMBL4379885 0.72 EGFR (0.40) KDM4EGRM5L3MBTL1TDP1MAPT
SCHEMBL28577126 0.72 KDM4E (0.60) KDM4EAKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL4378281 0.72 MAPT (0.39) AKR1C3AKR1C2L3MBTL1MAPTMEN1
SCHEMBL4394917 0.71 FFAR1 (0.38) AKR1C3AKR1C2AKR1C1PTGS1GRM5
SCHEMBL28576839 0.71 ACACB (0.50) ESR1ESR2TDP1GPR88MEN1

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 KDM4E 3223/4885AKR1C3 1516/4885AKR1C2 1443/4885

“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.