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 | |
|---|---|---|---|---|
| ▸ | LIG1 | P18858 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | RXRG | P48443 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3316593 | 0.85 | LIG1 (0.47) | LIG1ALDH1A1TSHRHPGDMAPK1 | |
| SCHEMBL9955670 | 0.84 | LIG1 (0.46) | LIG1ALDH1A1TSHRHPGDMAPK1 | |
| SCHEMBL3314446 | 0.84 | LIG1 (0.46) | LIG1ALDH1A1TSHRHPGDMAPK1 | |
| SCHEMBL13846687 | 0.80 | LIG1 (0.43) | LIG1ALDH1A1TSHRHPGDMAPK1 | |
| SCHEMBL31219294 | 0.77 | ALDH1A1 (0.59) | LIG1ALDH1A1TSHRHPGDMAPK1 | |
| SCHEMBL995137 | 0.77 | ALDH1A1 (0.59) | LIG1ALDH1A1TSHRHPGDMAPK1 | |
| SCHEMBL1131998 | 0.76 | LIG1 (0.67) | LIG1ALDH1A1TSHRHPGDMAPK1 | |
| SCHEMBL1889645 | 0.76 | LIG1 (0.67) | LIG1ALDH1A1TSHRHPGDMAPK1 | |
| Hydrogen Sulfide SCHEMBL28263437 | 0.76 | ALDH1A1 (0.58) | LIG1ALDH1A1TSHRHPGDMAPK1 | |
| SCHEMBL11519101 | 0.74 | LIG1 (0.51) | LIG1ALDH1A1TSHRHPGDMAPK1 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8466199-B2 | Allyloxy and alkyloxy benzoic acid delivery agents | EMISPHERE TECHNOLOGIES, INC. (US) | 2013-06-18 | — | — | US | disclosed |
| US-20100105604-A1 | ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS | EMISPHERE TECHNOLOGIES, INC. (US) | 2010-04-29 | — | — | US | disclosed |
| EP-2136624-A1 | ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS | Emisphere Technologies, Inc. (US) | 2009-12-30 | — | — | EP | disclosed |
| WO-2008116141-A1 | ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS | EMISPHERE TECHNOLOGIES, INC. (US) | 2008-09-25 | — | — | 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 (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-20100105604-A1 | ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS | ABCB11, TSPO, AADAC | LIG1 3263/4885ALDH1A1 196/4885TSHR 3962/4885 |
“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.