Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.53 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.53 |
| ▸ | COMT | P21964 | 6/20 | 0.71 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.59 |
| ▸ | NPC1 | O15118 | 4/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | IDO1 | P14902 | 1/20 | 0.55 |
| ▸ | XBP1 | P17861 | 1/20 | 0.55 |
| ▸ | CASP6 | P55212 | 2/20 | 0.53 |
| ▸ | BRD4 | O60885 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7151881 | 1.00 | COMT (0.71) | COMTFTOKDM4ENPC1RAB9A | |
| SCHEMBL11129818 | 1.00 | COMT (0.71) | COMTFTOKDM4ENPC1RAB9A | |
| SCHEMBL3271681 | 0.97 | COMT (0.71) | COMTFTOKDM4ENPC1RAB9A | |
| Potassium Ion SCHEMBL31267529 | 0.97 | COMT (0.71) | COMTFTOKDM4ENPC1RAB9A | |
| SCHEMBL10728571 | 0.97 | COMT (0.71) | COMTFTOKDM4ENPC1RAB9A | |
| SCHEMBL9511332 | 0.97 | FTO (0.77) | COMTFTOKDM4ENPC1RAB9A | |
| SCHEMBL1873348 | 0.97 | COMT (0.71) | COMTFTOKDM4ENPC1RAB9A | |
| SCHEMBL29456746 | 0.83 | COMT (1.00) | COMTFTOKDM4EMEN1KMT2A | |
| SCHEMBL114961 | 0.83 | COMT (1.00) | COMTFTOKDM4EMEN1KMT2A | |
| Lithium Ion SCHEMBL4624676 | 0.83 | ALDH1A1 (0.53) | COMTFTOKDM4EKMT2AALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6579633-B2 | Metal sulfonates of metal complexes of hydroxy- and mercapto-quinolines, benzoxazoles, benzothiazoles, benzotriazoles, benzoselenazoles, benzotellurazoles and phenanthridines | NESSDISPLAY CO., LTD. (KR) | 2003-06-17 | — | — | US | disclosed |
| US-6534201-B2 | Metal sulfonates of metal complexes of hydroxy- and mercapto-quinolines, benzoxazoles, benzothiazoles, benzotriazoles, benzoselenazoles, benzotellurazoles and phenanthridines | DONGJIN SEMICHEM CO., LTD. (KR) | 2003-03-18 | — | — | US | disclosed |
| US-20020045063-A1 | Novel organometallic luminescent materials and organic electroluminescent device containing same | NESSDISPLAY CO., LTD. | 2002-04-18 | — | — | US | disclosed |
| US-20020045065-A1 | Novel organometallic luminescent materials and organic electroluminescent device containing same | NESSDISPLAY CO., LTD. | 2002-04-18 | — | — | US | disclosed |
| US-20020045064-A1 | Novel organometallic luminescent materials and organic electroluminescent device containing same | NESSDISPLAY CO., LTD. | 2002-04-18 | — | — | 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-20020045065-A1 | Novel organometallic luminescent materials and organic electroluminescent device containing same | IK, LAGE3, NDUFV2 | PTGS2 2182/4885PDE4D 4614/4885COMT 217/4885 |
| US-20020045063-A1 | Novel organometallic luminescent materials and organic electroluminescent device containing same | IK, LAGE3, NDUFV2 | PTGS2 2182/4885PDE4D 4614/4885COMT 217/4885 |
“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.