Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Tert-Butanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Tert-Butanol SCHEMBL27333960 | 0.97 | TSHR (0.40) | TSHRALDH1A1LMNATDP1MAPK1 | |
| Tert-Butanol SCHEMBL7676061 | 0.91 | TSHR (0.35) | TSHRALDH1A1LMNATDP1MAPK1 | |
| Tert-Butanol SCHEMBL9841164 | 0.88 | TSHR (0.56) | TSHRALDH1A1LMNATDP1MAPK1 | |
| Tert-Butanol SCHEMBL6704337 | 0.87 | ALDH1A1 (0.38) | TSHRALDH1A1LMNATDP1MAPK1 | |
| Isopropyl Alcohol SCHEMBL16457736 | 0.84 | TSHR (0.60) | TSHRALDH1A1LMNATDP1 | |
| Isopropyl Alcohol SCHEMBL9460837 | 0.84 | TSHR (0.60) | TSHRALDH1A1LMNATDP1 | |
| Isopropyl Alcohol SCHEMBL5167390 | 0.84 | TSHR (0.60) | TSHRALDH1A1LMNATDP1 | |
| Tert-Butanol SCHEMBL217036 | 0.84 | — | — | |
| Tert-Butanol SCHEMBL474820 | 0.84 | — | — | |
| Isopropyl Alcohol SCHEMBL3277962 | 0.84 | TSHR (0.60) | TSHRALDH1A1LMNATDP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9101920-B2 | Palladium catalyst, method for its preparation and its use | H4SEP KFT (HU) | 2015-08-11 | — | — | US | disclosed |
| US-9056314-B2 | Palladium catalyst, method for its preparation and its use | H4SEP KFT (HU) | 2015-06-16 | — | — | US | disclosed |
| US-20140012004-A1 | NEW PALLADIUM CATALYST, METHOD FOR ITS PREPARATION AND ITS USE | H4SEP KFT (HU) | 2014-01-09 | — | — | US | disclosed |
| US-20130281700-A1 | PALLADIUM CATALYST, METHOD FOR ITS PREPARATION AND ITS USE | CHINOIN GYOGYSZER-ES VEGYESZETI TER-MEKEK GYARA ZRT (HU) | 2013-10-24 | — | — | US | disclosed |
| US-7105681-B2 | Process for the preparation of sulphinyl derivatives by oxidation of the corresponding sulfides | CHEMI SPA (IT) | 2006-09-12 | — | — | US | disclosed |
| US-20060014798-A1 | Process for the preparation of sulphinyl derivatives by oxidation of the corresponding sulfides | CHEMI SPA (IT) | 2006-01-19 | — | — | US | disclosed |
| US-20060008887-A1 | Production of carboxylic acid and carbonic acid derivatives using a thermostable esterase | GOLDSCHMIDT AG (DE) | 2006-01-12 | — | — | 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-20060014798-A1 | Process for the preparation of sulphinyl derivatives by oxidation of the corresponding sulfides | SQOR, STS, SI | TSHR 1178/4885ALDH1A1 1094/4885LMNA 4862/4885 |
| US-20130281700-A1 | PALLADIUM CATALYST, METHOD FOR ITS PREPARATION AND ITS USE | PDS5A, DDT, PDS5B | TSHR 2854/4885ALDH1A1 2333/4885LMNA 4829/4885 |
| US-20140012004-A1 | NEW PALLADIUM CATALYST, METHOD FOR ITS PREPARATION AND ITS USE | DDT, PDS5A, PDS5B | TSHR 3276/4885ALDH1A1 2722/4885LMNA 4842/4885 |
“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.