Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CASP1 | P29466 | 2/20 | 0.61 |
| ▸ | CASP7 | P55210 | 2/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | HBB | P68871 | 1/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | NQO2 | P16083 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL25125 | 1.00 | ALDH1A1 (0.61) | ALDH1A1HSD17B10TDP1CYP3A4CASP1 | |
| SCHEMBL25181 | 1.00 | ALDH1A1 (0.61) | ALDH1A1HSD17B10TDP1CYP3A4CASP1 | |
| SCHEMBL54728 | 1.00 | ALDH1A1 (0.61) | ALDH1A1HSD17B10TDP1CYP3A4CASP1 | |
| Benz(B)Anthracene SCHEMBL3474922 | 1.00 | ALDH1A1 (0.61) | ALDH1A1HSD17B10TDP1CYP3A4CASP1 | |
| SCHEMBL3798534 | 1.00 | ALDH1A1 (0.61) | ALDH1A1HSD17B10TDP1CYP3A4CASP1 | |
| Benz(B)Anthracene SCHEMBL7947 | 1.00 | ALDH1A1 (0.61) | ALDH1A1HSD17B10TDP1CYP3A4CASP1 | |
| Benz(B)Anthracene SCHEMBL719854 | 1.00 | ALDH1A1 (0.61) | ALDH1A1HSD17B10TDP1CYP3A4CASP1 | |
| Benz(B)Anthracene SCHEMBL22352910 | 1.00 | ALDH1A1 (0.61) | ALDH1A1HSD17B10TDP1CYP3A4CASP1 | |
| SCHEMBL22634171 | 1.00 | ALDH1A1 (0.61) | ALDH1A1HSD17B10TDP1CYP3A4CASP1 | |
| SCHEMBL31213566 | 1.00 | ALDH1A1 (0.61) | ALDH1A1HSD17B10TDP1CYP3A4CASP1 |
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 3818/4885HSD17B10 2843/4885TDP1 1306/4885 |
“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.