Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 9/20 | 0.39 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 4/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL442861 | 0.86 | MGLL (0.34) | MGLLDDAH1FAAHHSP90AA1NPSR1 | |
| SCHEMBL442862 | 0.86 | MGLL (0.34) | MGLLDDAH1FAAHHSP90AA1NPSR1 | |
| SCHEMBL5659021 | 0.82 | MAOB (0.42) | HPGDOPRM1OPRD1OPRK1MAOB | |
| SCHEMBL10051091 | 0.82 | MAOB (0.42) | HPGDOPRM1OPRD1OPRK1MAOB | |
| SCHEMBL13814007 | 0.81 | NPC1 (0.36) | MAOB | |
| SCHEMBL1493215 | 0.81 | NPC1 (0.36) | MAOB | |
| SCHEMBL438373 | 0.81 | NPC1 (0.36) | MAOB | |
| SCHEMBL13814005 | 0.81 | NPC1 (0.36) | MAOB | |
| SCHEMBL440659 | 0.80 | OPRM1 (0.37) | NPSR1TDP1ALDH1A1HPGDOPRM1 | |
| SCHEMBL16801968 | 0.79 | KMT2A (0.36) | OPRM1OPRD1OPRK1MAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120064002-A1 | Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents | LEHMANN LUTZ (DE) | 2012-03-15 | — | — | US | disclosed |
| US-20040208828-A1 | Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic acid and derivatives thereof, process for their production and use for the production of pharmaceutical agents | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2004-10-21 | — | — | US | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040208828-A1 | Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic acid and derivatives thereof, process for their production and use for the production of pharmaceutical agents | CYP4B1, CYP2B6, UGT2B7 | MGLL 4040/4885DDAH1 1567/4885FAAH 2714/4885 |
| US-20120064002-A1 | Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents | CYP4B1, CYP2B6, UGT2B7 | MGLL 3983/4885DDAH1 1643/4885FAAH 2802/4885 |
“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.