SCHEMBL6071061

SCHEMBL6071061

COC(=O)C=Cc1ccc2[nH]c(C)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.57
▸ APP P05067 1/20 0.57
▸ KDM4E B2RXH2 6/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ MAPT P10636 4/20 0.56
▸ POLB P06746 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ PTPN1 P18031 1/20 0.55
▸ MAOB P27338 2/20 0.53
▸ MAOA P21397 1/20 0.51
▸ HTT P42858 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ TYR P14679 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ AXL P30530 1/20 0.50

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
SCHEMBL6071058 1.00 TTR (0.57) TTRAPPKDM4EALDH1A1MAPT
SCHEMBL28811168 0.84 TTR (0.52) TTRAPPKDM4EALDH1A1MAPT
SCHEMBL8543036 0.84 CYP26A1 (0.57) TTRAPPKDM4EALDH1A1MAPT
SCHEMBL8543042 0.84 CYP26A1 (0.57) TTRAPPKDM4EALDH1A1MAPT
SCHEMBL21620882 0.80 APP (0.69) TTRAPPKDM4EALDH1A1MAPT
SCHEMBL6071053 0.78 BACE1 (0.64) TTRAPPKDM4EALDH1A1MAPT
SCHEMBL6071057 0.78 BACE1 (0.64) TTRAPPKDM4EALDH1A1MAPT
SCHEMBL10312567 0.76 APP (0.59) TTRAPPKDM4EALDH1A1MAPT
SCHEMBL1481293 0.74 TTR (0.61) TTRAPPKDM4EALDH1A1MAPT
SCHEMBL18405874 0.74 APP (0.61) TTRAPPKDM4EALDH1A1MAPT

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 TTR 2386/4885APP 213/4885KDM4E 2320/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 TTR 2518/4885APP 124/4885KDM4E 2827/4885

“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.

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