Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isobutylbenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.58 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| Isobutylbenzene SCHEMBL57393 | 0.88 | SIGMAR1 (0.64) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL7493657 | 0.88 | SIGMAR1 (0.64) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL2571645 | 0.88 | SIGMAR1 (0.64) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL6891614 | 0.85 | SIGMAR1 (0.61) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL1894392 | 0.85 | SIGMAR1 (0.61) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL11468970 | 0.85 | TAAR1 (0.61) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL363626 | 0.85 | TAAR1 (0.61) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL31498540 | 0.85 | SIGMAR1 (0.61) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL31284788 | 0.85 | SIGMAR1 (0.61) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL11839466 | 0.83 | TAAR1 (0.58) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040122270-A1 | In-situ polymerization of monoethylenically unsaturated monomers with secondary amines | BAYER AKTIENGESELLSCHAFT (DE) | 2004-06-24 | — | — | US | disclosed |
| EP-1428838-A1 | In situ-polymerization of monoethylenically unsaturated monomers with secondary amines | Bayer MaterialScience AG (DE) | 2004-06-16 | — | — | EP | disclosed |
| EP-1428839-A1 | In-situ polymerization of monoethylenically unsaturated monomers with secondary amines | Bayer MaterialScience AG (DE) | 2004-06-16 | — | — | EP | disclosed |
| US-6686424-B2 | USE IN RADICAL POLYMERIZATION; REACTING AN OXIDIZING AGENT WITH A STERICALLY HINDERED SECONDARY AMINE TO PRODUCE A NITROXY RADICAL; ADDING TO THE NITROXY RADICAL ONE OR MORE VINYL MONOMER | BAYER AKTIENGESELLSCHAFT (DE) | 2004-02-03 | — | — | US | disclosed |
| EP-1375476-A1 | A new process for the synthesis of alkoxyamines active in controlled radical polymerization | Bayer Aktiengesellschaft (DE) | 2004-01-02 | — | — | EP | disclosed |
| EP-1375457-A1 | One-pot process for the preparation of functionalized alkoxyamines | Bayer Aktiengesellschaft (DE) | 2004-01-02 | — | — | EP | disclosed |
| US-20040002606-A1 | Process for the synthesis for alkoxy amines and their use in controlled radical polymerization | BAYER AKTIENGESELLSCHAFT (DE) | 2004-01-01 | — | — | US | disclosed |
| US-20030236368-A1 | PREPARATION OF FUNCTIONALIZED ALKOXYAMINE INITIATOR AND ITS USE | BAYER AKTIENGESELLSCHAFT (DE) | 2003-12-25 | — | — | 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 (3 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-20030236368-A1 | PREPARATION OF FUNCTIONALIZED ALKOXYAMINE INITIATOR AND ITS USE | NOS1, NOS2, CBR1 | TAAR1 205/4885SIGMAR1 333/4885SLC6A2 2402/4885 |
| US-20040002606-A1 | Process for the synthesis for alkoxy amines and their use in controlled radical polymerization | ALKBH3, MAOB, ALKBH1 | TAAR1 75/4885SIGMAR1 223/4885SLC6A2 1928/4885 |
| US-20040122270-A1 | In-situ polymerization of monoethylenically unsaturated monomers with secondary amines | ALOX5, PARG, FASN | TAAR1 587/4885SIGMAR1 514/4885SLC6A2 2932/4885 |
“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.