Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | CASP7 | P55210 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HBB | P68871 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | AHR | P35869 | 2/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1873234 | 1.00 | ALDH1A1 (0.44) | ALDH1A1KDM4EGAAHSD17B10HIF1A | |
| SCHEMBL17849090 | 1.00 | ALDH1A1 (0.44) | ALDH1A1KDM4EGAAHSD17B10HIF1A | |
| SCHEMBL31364317 | 1.00 | ALDH1A1 (0.44) | ALDH1A1KDM4EGAAHSD17B10HIF1A | |
| SCHEMBL30149559 | 1.00 | ALDH1A1 (0.44) | ALDH1A1KDM4EGAAHSD17B10HIF1A | |
| SCHEMBL2407961 | 0.98 | ALDH1A1 (0.45) | ALDH1A1KDM4EGAAHSD17B10HIF1A | |
| SCHEMBL29388401 | 0.98 | ALDH1A1 (0.45) | ALDH1A1KDM4EGAAHSD17B10HIF1A | |
| SCHEMBL11287037 | 0.94 | ALDH1A1 (0.48) | ALDH1A1KDM4EGAAHSD17B10HIF1A | |
| Fluoride SCHEMBL28034450 | 0.93 | ALDH1A1 (0.42) | ALDH1A1KDM4EGAAHSD17B10HIF1A | |
| SCHEMBL28021465 | 0.91 | ALDH1A1 (0.50) | ALDH1A1KDM4EGAAHSD17B10HIF1A | |
| SCHEMBL29971666 | 0.90 | ALDH1A1 (0.43) | ALDH1A1KDM4EGAAHSD17B10HIF1A |
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-10752730-B2 | Quantitative intramolecular fission in oligoacenes, materials, and methods of use thereof | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2020-08-25 | — | — | US | disclosed |
| US-20180258217-A1 | QUANTITATIVE INTRAMOLECULAR FISSION IN OLIGOACENES, MATERIALS, AND METHODS OF USE THEREOF | UNITED STATES DEPARTMENT OF ENERGY | 2018-09-13 | — | — | US | disclosed |
| WO-2016100754-A1 | QUANTITATIVE INTRAMOLECULAR FISSION IN OLIGOACENES, MATERIALS, AND METHODS OF USE THEREOF | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2016-06-23 | — | — | WO | 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 (1 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-10752730-B2 | Quantitative intramolecular fission in oligoacenes, materials, and methods of use thereof | SPIN1, SPIN3, ESPL1 | ALDH1A1 3818/4885KDM4E 4485/4885GAA 4697/4885 |
“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.