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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.33 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 8/20 | 0.35 |
| ▸ | CNR1 | P21554 | 6/20 | 0.35 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL416205 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CA4CNR2CNR1BBOX1 | |
| Sorbic Acid SCHEMBL2353831 | 0.97 | CA4 (0.38) | ALDH1A1CA4CNR2CNR1BBOX1 | |
| Sorbic Acid SCHEMBL41692 | 0.97 | — | — | |
| Sorbic Acid SCHEMBL41693 | 0.97 | — | — | |
| Sorbic Acid SCHEMBL28680231 | 0.97 | CA4 (0.38) | ALDH1A1CA4CNR2CNR1BBOX1 | |
| Sorbic Acid SCHEMBL29963629 | 0.97 | CA4 (0.38) | ALDH1A1CA4CNR2CNR1BBOX1 | |
| Potassium Ion SCHEMBL2563944 | 0.95 | ALDH1A1 (0.39) | ALDH1A1CA4CNR2CNR1BBOX1 | |
| Sorbic Acid SCHEMBL5328357 | 0.95 | CA4 (0.43) | ALDH1A1CA4CNR2CNR1BBOX1 | |
| Sorbic Acid SCHEMBL22284124 | 0.95 | CA4 (0.36) | ALDH1A1CA4CNR2CNR1BBOX1 | |
| Sorbic Acid SCHEMBL1759655 | 0.95 | CA4 (0.36) | ALDH1A1CA4CNR2CNR1BBOX1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2419394-A1 | PROCESS FOR THE PREPARATION OF 2,4,6-OCTATRIENE-1-OIC ACID AND 2,4,6-OCTATRIENE-1-OL | GIULIANI S.p.A. (IT) | 2012-02-22 | — | — | EP | claimed |
| US-20120022282-A1 | PROCESS FOR THE PREPARATION OF 2,4,6-OCTATRIENE-1-OIC ACID AND 2,4,6-OCTATRIENE-1-OL | GIULIANI S.P.A. (IT) | 2012-01-26 | — | — | US | claimed |
| WO-2010119117-A1 | PROCESS FOR THE PREPARATION OF 2,4,6-OCTATRIENE-1-OIC ACID AND 2,4,6-OCTATRIENE-1-OL | GIULIANI S.P.A. (IT) | 2010-10-21 | — | — | WO | claimed |
| EP-2241543-A1 | Process for the preparation of 2,4,6-octatriene-1-oic acid and 2,4,6-octatriene-1-ol | Giuliani S.p.A. (IT) | 2010-10-20 | — | — | EP | claimed |
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-20120022282-A1 | PROCESS FOR THE PREPARATION OF 2,4,6-OCTATRIENE-1-OIC ACID AND 2,4,6-OCTATRIENE-1-OL | OSTC, APEH, OXER1 | CA4 25/4885CA1 186/4885PPARG 331/4885 |
“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.