Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.40 |
| ▸ | CES1 | P23141 | 4/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.37 |
| ▸ | PPARG | P37231 | 7/20 | 0.37 |
| ▸ | PPARD | Q03181 | 7/20 | 0.37 |
| ▸ | PPARA | Q07869 | 7/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TLR2 | O60603 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | FABP4 | P15090 | 2/20 | 0.37 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.37 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18479698 | 0.81 | CES1 (0.46) | CES2CES1AKR1B1GPR84PPARG | |
| SCHEMBL10336330 | 0.81 | CES2 (0.50) | CES2CES1GPR84PPARGPPARD | |
| SCHEMBL8635425 | 0.78 | CES2 (0.38) | CES2CES1GPR84PPARGPPARD | |
| SCHEMBL11973605 | 0.77 | CES2 (0.46) | CES2CES1GPR84PPARGPPARD | |
| SCHEMBL12987452 | 0.77 | CES2 (0.46) | CES2CES1GPR84PPARGPPARD | |
| Bromide SCHEMBL28498433 | 0.77 | CES2 (0.46) | CES2CES1GPR84PPARGPPARD | |
| SCHEMBL8636401 | 0.75 | CES2 (0.39) | CES2CES1GPR84PPARGPPARD | |
| SCHEMBL3401724 | 0.74 | CES2 (0.56) | CES2CES1AKR1B1GPR84PPARG | |
| SCHEMBL23974873 | 0.73 | DNM1 (0.42) | CES2CES1AKR1B1GPR84TSHR | |
| Hydrochloric Acid SCHEMBL27912336 | 0.73 | CES2 (0.42) | CES2CES1GPR84PPARGPPARD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8704002-B2 | Process for the dehydration of substituted 4-dimethylamino-2-aryl-butan-2-ol compounds and process for the preparation of substituted dimethyl-(3-aryl-butyl)-amine compounds by heterogeneous catalysis | Grünenthal GmbH (DE) | 2014-04-22 | — | — | US | disclosed |
| US-20130060065-A1 | Process for the Dehydration of Substituted 4-Dimethylamino-2-aryl-butan-2-ol Compounds and Process for the Preparation of Substituted Dimethyl-(3-aryl-butyl)- Amine Compounds by Heterogeneous Catalysis | GRUENENTHAL GMBH (DE) | 2013-03-07 | — | — | US | disclosed |
| US-20060167318-A1 | Process for the dehydration of substituted 4-dimethylamino-2-aryl-butan-2-ol compounds and process for the preparation of substituted dimethyl-(3-aryl-butyl)- amine compounds by heterogeneous catalysis | GRUENENTHAL GMBH (DE) | 2006-07-27 | — | — | 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 (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-20060167318-A1 | Process for the dehydration of substituted 4-dimethylamino-2-aryl-butan-2-ol compounds and process for the preparation of substituted dimethyl-(3-aryl-butyl)- amine compounds by heterogeneous catalysis | BRD2, BBOX1, BRD1 | CES2 1120/4885CES1 2747/4885AKR1B1 1292/4885 |
| US-20130060065-A1 | Process for the Dehydration of Substituted 4-Dimethylamino-2-aryl-butan-2-ol Compounds and Process for the Preparation of Substituted Dimethyl-(3-aryl-butyl)- Amine Compounds by Heterogeneous Catalysis | BRD2, BBOX1, BRD1 | CES2 1120/4885CES1 2747/4885AKR1B1 1292/4885 |
“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.