SCHEMBL4986947

SCHEMBL4986947

CCOC(=O)Cc1ccc(OCCOC2CCCCO2)c2ccoc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CREBBP Q92793 1/20 0.36
KDM4C Q9H3R0 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
ESR1 P03372 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
TBXAS1 P24557 1/20 0.31
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31

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
SCHEMBL4991401 0.88 MEN1 (0.44) MEN1KMT2ACREBBPKDM4CNPC1
SCHEMBL4985276 0.87 MEN1 (0.41) MEN1KMT2ACREBBPKDM4CNPC1
SCHEMBL4984652 0.77 KDM4C (0.41) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL13215371 0.72 MAPK1 (0.43) MEN1KMT2ACREBBPKDM4CALDH1A1
SCHEMBL5257456 0.71 MEN1 (0.43) MEN1KMT2ACREBBPKDM4CNPC1
SCHEMBL19796232 0.70 KMT2A (0.42) MEN1KMT2ACREBBPKDM4CKDM4E
SCHEMBL5253767 0.69 KDM4C (0.41) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL18095462 0.69 ALDH1A1 (0.44) MEN1KMT2AKDM4CALDH1A1KDM4E
SCHEMBL25176578 0.69 KMT2A (0.44) MEN1KMT2AKDM4CALDH1A1NPC1
SCHEMBL22369978 0.69 FDPS (0.62) ALDH1A1KDM4EHPGDMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405305-B2 Pyrrole-2, 5dione derivatives and their used as GSK-3 inhibitors ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
EP-1487822-B1 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS LILLY CO ELI (US) 2007-08-01 EP disclosed
US-20050288321-A1 Kinase inhibitors ELI LILLY AND COMPANY 2005-12-29 US disclosed
CN-1639152-A Pyrrole-2, 5-dione derivatives and their use as GSK-3 inhibitors LILLY CO ELI (US) 2005-07-13 CN disclosed
EP-1487822-A2 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS ELI LILLY AND COMPANY (US) 2004-12-22 EP disclosed
WO-2003076398-A2 PYRROLE-2, 5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-18 WO 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-20050288321-A1 Kinase inhibitors ABL1, MAP3K20, MAP3K19 MEN1 1394/4885KMT2A 880/4885CREBBP 1478/4885

“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.