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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 2/20 | 0.41 |
| ▸ | LIG1 | P18858 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5382362 | 0.85 | MAPT (0.56) | KDM4ELMNASMN1; SMN2ALDH1A1HTT | |
| SCHEMBL3316012 | 0.83 | KDM4E (0.65) | KDM4ELMNASMN1; SMN2ALDH1A1HTT | |
| SCHEMBL16966571 | 0.83 | KDM4E (0.65) | KDM4ELMNASMN1; SMN2ALDH1A1HTT | |
| SCHEMBL3314748 | 0.82 | KDM4E (0.63) | KDM4ELMNASMN1; SMN2ALDH1A1HTT | |
| SCHEMBL8379922 | 0.81 | ALDH1A1 (0.56) | KDM4ELMNASMN1; SMN2ALDH1A1HTT | |
| SCHEMBL5709037 | 0.80 | HCRTR1 (0.60) | KDM4ELMNAALDH1A1HTTHPGD | |
| SCHEMBL31721706 | 0.80 | HCRTR1 (0.60) | KDM4ELMNAALDH1A1HTTHPGD | |
| SCHEMBL14092915 | 0.80 | KDM4E (0.46) | KDM4ELMNASMN1; SMN2ALDH1A1HTT | |
| SCHEMBL538221 | 0.79 | ELANE (0.51) | KDM4EHTTGPR174MAPTMEN1 | |
| SCHEMBL8023757 | 0.79 | ALDH1A1 (0.50) | KDM4ELMNASMN1; SMN2ALDH1A1HTT |
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 | KDM4E 2914/4885LMNA 2325/4885SMN1; SMN2 1479/4885 |
“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.