Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | TDP2 | O95551 | 1/20 | 0.30 |
| ▸ | NSD2 | O96028 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11285953 | 0.81 | NCEH1 (0.44) | NCEH1ALDH1A1ALOX15MCL1 | |
| SCHEMBL12202755 | 0.81 | NCEH1 (0.44) | NCEH1ALDH1A1ALOX15 | |
| SCHEMBL1311470 | 0.80 | ALDH1A1 (0.37) | NCEH1ALDH1A1ALOX15MCL1TDP2 | |
| SCHEMBL3453035 | 0.80 | ALDH1A1 (0.44) | ALDH1A1ALOX15 | |
| SCHEMBL11901343 | 0.79 | SIRT3 (0.46) | NCEH1ALDH1A1 | |
| Benzoyl Chloride SCHEMBL8174054 | 0.78 | NCEH1 (0.33) | NCEH1ALDH1A1 | |
| SCHEMBL302924 | 0.77 | ALDH1A1 (0.37) | NCEH1ALDH1A1ALOX15MCL1TDP2 | |
| SCHEMBL28873539 | 0.77 | ALOX15 (0.34) | ALDH1A1ALOX15MCL1TDP2NSD2 | |
| SCHEMBL23354548 | 0.76 | NCEH1 (0.49) | NCEH1ALDH1A1 | |
| SCHEMBL11457957 | 0.75 | POLB (0.37) | ALDH1A1ALOX15MCL1TDP2NSD2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8846920-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2014-09-30 | — | — | US | disclosed |
| US-20100331506-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2010-12-30 | — | — | US | disclosed |
| US-7820822-B2 | fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon | MERCK PATENT GMBH (DE) | 2010-10-26 | — | — | US | disclosed |
| US-20070034863-A1 | fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon | UDC IRELAND LIMITED (IE) | 2007-02-15 | — | — | 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-20100331506-A1 | METAL COMPLEXES | SOD1, AP1M1, AP2M1 | NCEH1 4229/4885ALDH1A1 864/4885ALOX15 2888/4885 |
| US-20070034863-A1 | fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon | NISCH, CISD1, AFF1 | NCEH1 1470/4885ALDH1A1 296/4885ALOX15 2353/4885 |
“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.