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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.33 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.33 |
| ▸ | PKLR | P30613 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5746932 | 0.84 | CES1 (0.46) | CES1PTPRCPABPC1DNMT1 | |
| SCHEMBL6998703 | 0.83 | CES1 (0.44) | CES1PTPRCPABPC1DNMT1PTGS2 | |
| SCHEMBL4915977 | 0.80 | CES1 (0.47) | CES1PTPRCPABPC1DNMT1 | |
| SCHEMBL14269132 | 0.79 | OPRD1 (0.48) | CES1PTPRCPTGS2 | |
| SCHEMBL14294035 | 0.79 | CES1 (0.41) | CES1PTPRCPABPC1DNMT1PTGS2 | |
| SCHEMBL6992698 | 0.78 | CES1 (0.46) | CES1PTPRCPABPC1DNMT1PTGS2 | |
| SCHEMBL14269133 | 0.75 | OPRD1 (0.49) | CES1PTPRCPABPC1DNMT1PTGS2 | |
| SCHEMBL14294472 | 0.75 | CES1 (0.42) | CES1PTPRCPABPC1DNMT1PTGS2 | |
| SCHEMBL6995084 | 0.74 | CES1 (0.75) | CES1PTPRCPABPC1DNMT1PTGS2 | |
| SCHEMBL14269123 | 0.73 | STAT3 (0.42) | CES1PTPRC |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7332615-B2 | Hydrophilic analogs of 4,8-dihydrobenzodithiophene-4,8-diones as anticancer agents | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 2008-02-19 | — | — | US | disclosed |
| EP-1652849-A1 | Novel hydrophilic analogs of 4,8-dihydrobenzodithiophene-4,8-diones as anticancer agents | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 2006-05-03 | — | — | EP | disclosed |
| US-20060069041-A1 | Novel hydrophilic analogs of 4,8-dihydrobenzodithiophene-4,8-diones as anticancer agents | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 2006-03-30 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060069041-A1 | Novel hydrophilic analogs of 4,8-dihydrobenzodithiophene-4,8-diones as anticancer agents | ABCG2, ABCC8, ABCB1 | PTGS2 1958/4885CES1 3292/4885PTPRC 2181/4885 |
“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.