Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 8/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | PTGES | O14684 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | BLM | P54132 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2888908 | 0.86 | PTGS2 (0.59) | CYP2C9BLMKMT2AALOX5PTGS2 | |
| SCHEMBL6687476 | 0.86 | PTGS2 (0.59) | CYP2C9BLMKMT2AALOX5PTGS2 | |
| SCHEMBL28094100 | 0.85 | CYP2C9 (0.50) | PTGES2CYP2C9CYP2D6HIF1ARAB9A | |
| SCHEMBL7518560 | 0.84 | CYP2C9 (0.53) | PTGES2CYP2C9CYP2D6HIF1ARAB9A | |
| SCHEMBL6668736 | 0.82 | BLM (0.52) | HIF1AKDM4EPOLBBLMMEN1 | |
| SCHEMBL19553575 | 0.81 | PTGS1 (0.53) | CYP2C9BLMALOX5PTGS2GRN | |
| SCHEMBL6469200 | 0.81 | GRN (0.54) | PTGES2CYP2C9CYP2D6HIF1APTGES | |
| SCHEMBL14441220 | 0.81 | PTGES2 (0.50) | PTGES2CYP2C9CYP2D6RAB9AKDM4E | |
| SCHEMBL9641439 | 0.81 | PPARA (0.41) | PTGES2CYP2C9RAB9APTGESKDM4E | |
| SCHEMBL27925093 | 0.80 | ESR1 (0.56) | PTGES2HIF1AKDM4EPOLBBLM |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2065360-B1 | Use of 3-methylbenzyl isobutyrate as a fragrance compound | SYMRISE AG (DE) | 2013-06-19 | — | — | EP | disclosed |
| EP-2065360-A2 | 3-methylbenzyl isobutyrate | Symrise GmbH & Co. KG (DE) | 2009-06-03 | — | — | EP | disclosed |
| EP-1747186-B1 | Fragrant composition comprising 3-methylbenzyl-isobutyrat | SYMRISE GMBH & CO KG (DE) | 2009-03-11 | — | — | EP | disclosed |
| US-7378428-B2 | Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2008-05-27 | — | — | US | disclosed |
| US-7253158-B2 | Sulfonamides | HOFFMANN-LA ROCHE INC. (US) | 2007-08-07 | — | — | US | disclosed |
| EP-1306373-B1 | 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO (JP) | 2007-05-16 | — | — | EP | disclosed |
| EP-1306373-B1 | 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO (JP) | 2007-05-16 | — | — | EP | disclosed |
| US-6956033-B2 | 3,4-dihydroisoquinoline derivative compound and a pharmaceutical agent comprising it as active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2005-10-18 | — | — | US | disclosed |
| US-20050222138-A1 | Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2005-10-06 | — | — | US | disclosed |
| US-20040077643-A1 | 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2004-04-22 | — | — | US | disclosed |
| EP-1306373-A1 | 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD. (JP) | 2003-05-02 | — | — | EP | 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-20040077643-A1 | 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient | CNR1, CNR2, TRPV1 | PTGES2 313/4885CYP2C9 1375/4885CYP2D6 554/4885 |
| US-20050222138-A1 | Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient | PARK7, MMP8, CDK7 | PTGES2 691/4885CYP2C9 1663/4885CYP2D6 2217/4885 |
“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.