Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HTR5A | P47898 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30695369 | 1.00 | CYP3A4 (0.41) | CYP3A4ALDH1A1ADRA2AKDM1AHTR2A | |
| SCHEMBL31106547 | 0.88 | RXRA (0.44) | CYP3A4ALDH1A1KDM1AHTR2AHTR2C | |
| SCHEMBL5646023 | 0.88 | RXRA (0.44) | CYP3A4ALDH1A1KDM1AHTR2AHTR2C | |
| SCHEMBL5763435 | 0.85 | CYP3A4 (0.50) | CYP3A4ALDH1A1ADRA2AKDM1APARP1 | |
| SCHEMBL29959514 | 0.85 | CYP3A4 (0.50) | CYP3A4ALDH1A1ADRA2AKDM1APARP1 | |
| SCHEMBL17571344 | 0.79 | CYP3A4 (0.39) | CYP3A4ALDH1A1ADRA2AKDM1ACYP1A2 | |
| SCHEMBL17571339 | 0.79 | CYP3A4 (0.39) | CYP3A4ALDH1A1ADRA2AKDM1ACYP1A2 | |
| SCHEMBL12856786 | 0.79 | CYP3A4 (0.39) | CYP3A4ALDH1A1ADRA2AKDM1ACYP1A2 | |
| SCHEMBL22589962 | 0.79 | ESR1 (0.35) | CYP3A4ALDH1A1ADRA2AKDM1AHTR2A | |
| SCHEMBL1615553 | 0.77 | RXRA (0.46) | CYP3A4ALDH1A1CYP1A2CYP2C19MEN1 |
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-20230382910-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED | 2023-11-30 | — | — | US | disclosed |
| EP-3362428-B1 | NOVEL OCTAHYDROINDENYL PROPANAL COMPOUNDS | INT FLAVORS & FRAGRANCES INC (US) | 2020-05-06 | — | — | EP | disclosed |
| US-20180297922-A1 | NOVEL OCTAHYDROINDENYL PROPANAL COMPOUNDS | INT FLAVORS & FRAGRANCES INC (US) | 2018-10-18 | — | — | US | disclosed |
| EP-3362428-A1 | NOVEL OCTAHYDROINDENYL PROPANAL COMPOUNDS | International Flavors & Fragrances Inc. (US) | 2018-08-22 | — | — | EP | disclosed |
| CN-108290812-A | Novel octahydro indenyl propionic aldehyde compound | 国际香料和香精公司 | 2018-07-17 | — | — | CN | disclosed |
| WO-2017066214-A1 | NOVEL OCTAHYDROINDENYL PROPANAL COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2017-04-20 | — | — | WO | disclosed |
| US-4987261-A | Diaminoindane derivatives | MITSUI TOATSU CHEMICALS, INC. (JP) | 1991-01-22 | — | — | US | disclosed |
| US-4532357-A | Reacting methylindanes with oxygen or air in presence of transition metal oxidation catalyst, recovering product by fractional distillation | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1985-07-30 | — | — | 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-20180297922-A1 | NOVEL OCTAHYDROINDENYL PROPANAL COMPOUNDS | OR51E2, CUTA, POLR1C | CYP3A4 554/4885ALDH1A1 152/4885ADRA2A 2991/4885 |
| US-20230382910-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | TRPV1, SCN3A, KCNN3 | CYP3A4 685/4885ALDH1A1 1762/4885ADRA2A 243/4885 |
“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.