SCHEMBL6070869

SCHEMBL6070869

COC(=O)/C=C/c1cc2ccccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
MAPK1 P28482 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
PLIN1 O60240 1/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
PLIN5 Q00G26 1/20 0.58
ABHD5 Q8WTS1 1/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.52
CYP2A6 P11509 1/20 0.51
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 1/20 0.48
APP P05067 1/20 0.47
CYP3A4 P08684 1/20 0.44
FLT3 P36888 1/20 0.44

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
SCHEMBL6070874 1.00 MAPT (0.58) MAPTMAPK1TDP1PLIN1LMNA
SCHEMBL3992744 0.84 CYP2A6 (0.54) MAPTMAPK1TDP1PLIN1LMNA
SCHEMBL9110304 0.84 CYP3A4 (0.62) MAPTMAPK1TDP1PLIN1LMNA
SCHEMBL9110298 0.84 CYP3A4 (0.62) MAPTMAPK1TDP1PLIN1LMNA
SCHEMBL6070620 0.84 MAPT (0.54) MAPTMAPK1TDP1PLIN1LMNA
SCHEMBL6070614 0.84 MAPT (0.54) MAPTMAPK1TDP1PLIN1LMNA
SCHEMBL3209446 0.83 RAB9A (0.62) MAPTMAPK1TDP1PLIN1LMNA
SCHEMBL9799652 0.83 MAPT (0.62) MAPTMAPK1TDP1PLIN1LMNA
SCHEMBL30963012 0.83 MAPT (0.62) MAPTMAPK1TDP1PLIN1LMNA
SCHEMBL9799655 0.83 MAPT (0.62) MAPTMAPK1TDP1PLIN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-19 US disclosed
EP-1397136-A1 HETEROCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-03-17 EP disclosed
US-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-06-19 US disclosed
WO-2002096424-A1 HETEREOCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-12-05 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 (2 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-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof CA3, GAP43, SLC1A2 MAPT 1994/4885MAPK1 2804/4885TDP1 2580/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 MAPT 1732/4885MAPK1 2858/4885TDP1 2673/4885

“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.