SCHEMBL3420132

SCHEMBL3420132

CC(=O)OCc1ccccc1OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56
BRD4 O60885 1/20 0.55
PTGER1 P34995 1/20 0.52
PTGER4 P35408 1/20 0.52
PTGER3 P43115 1/20 0.52
PTGER2 P43116 1/20 0.52
GAA P10253 2/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
LIPE Q05469 1/20 0.50
FOLH1 Q04609 1/20 0.50
MAPK1 P28482 1/20 0.50
ABCB1 P08183 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL3980718 0.87 HTR1A (0.59) ALDH1A1HTR1ADRD2BRD4PTGER1
SCHEMBL3477609 0.87 HTR1A (0.59) ALDH1A1HTR1ADRD2BRD4PTGER1
SCHEMBL841363 0.84 HTT (0.58) ALDH1A1HTR1ADRD2BRD4PTGER1
SCHEMBL13034142 0.83 L3MBTL1 (0.54) ALDH1A1GAAMAPTTDP1L3MBTL1
SCHEMBL21483714 0.83 ALDH1A1 (0.55) ALDH1A1HTTMAPTTDP1L3MBTL1
SCHEMBL68571 0.82 L3MBTL1 (0.69) ALDH1A1HTR1ADRD2BRD4PTGER1
Bicarbonate SCHEMBL27963003 0.81 HTR1A (0.61) ALDH1A1HTR1ADRD2BRD4PTGER1
SCHEMBL2903603 0.81 ALDH1A1 (0.57) ALDH1A1BRD4PTGER1PTGER4PTGER3
E1501 SCHEMBL901210 0.80 ALDH1A1 (1.00) ALDH1A1MAPTTDP1L3MBTL1MAPK1
E1501 SCHEMBL14031569 0.80 ALDH1A1 (1.00) ALDH1A1MAPTTDP1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718781-B2 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-05-18 US disclosed
EP-1423399-A4 HYDROXYPYRIDONATE AND HYDROXYPYRIMIDINONE CHELATING AGENTS UNIV CALIFORNIA (US) 2008-05-07 EP disclosed
WO-2007121453-A2 2-HYDROXY-1-OXO 1,2 DIHYDRO ISOQUINOLINE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-25 WO disclosed
US-6846915-B2 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-25 US disclosed
US-20050008570-A1 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-13 US disclosed
EP-1423399-A2 HYDROXYPYRIDONATE AND HYDROXYPYRIMIDINONE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-06-02 EP disclosed
US-20030095922-A1 Hydroxypyridonate and hydroxypyrimidinone chelating agents REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-05-22 US disclosed
WO-2003016923-A2 HYDROXYPYRIDONATE AND HYDROXYPYRIMIDINONE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-02-27 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-20050008570-A1 Hydroxypyridonate and hydroxypyrimidinone chelating agents HAMP, GDI1, MPI ALDH1A1 2521/4885HTR1A 3191/4885DRD2 2161/4885

“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.