Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.69 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.69 |
| ▸ | MAPT | P10636 | 8/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.64 |
| ▸ | NQO2 | P16083 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13485338 | 1.00 | ESR1 (0.69) | ESR1ESR2MAPTKDM4ENQO2 | |
| SCHEMBL8511944 | 1.00 | ESR1 (0.69) | ESR1ESR2MAPTKDM4ENQO2 | |
| SCHEMBL9559515 | 0.91 | MAPT (0.64) | ESR1ESR2MAPTKDM4ENQO2 | |
| SCHEMBL28431132 | 0.91 | MAPT (0.68) | ESR1ESR2MAPTKDM4ENQO2 | |
| SCHEMBL14964811 | 0.91 | MAPT (0.64) | ESR1ESR2MAPTKDM4ENQO2 | |
| SCHEMBL4292187 | 0.88 | MAPT (0.64) | ESR1ESR2MAPTKDM4ENQO2 | |
| SCHEMBL4300285 | 0.88 | KDM4E (0.68) | ESR1ESR2MAPTKDM4ENQO2 | |
| SCHEMBL13659593 | 0.88 | KDM4E (0.68) | ESR1ESR2MAPTKDM4ENQO2 | |
| SCHEMBL4300288 | 0.88 | KDM4E (0.68) | ESR1ESR2MAPTKDM4ENQO2 | |
| SCHEMBL4292191 | 0.88 | MAPT (0.64) | ESR1ESR2MAPTKDM4ENQO2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9169208-B2 | Aromatic and aromatic/heteroaromatic molecular structures with controllable electron conducting properties | E I DU PONT DE NEMOURS AND COMPANY (US) | 2015-10-27 | — | — | US | disclosed |
| US-9169208-B2 | Aromatic and aromatic/heteroaromatic molecular structures with controllable electron conducting properties | E I DU PONT DE NEMOURS AND COMPANY (US) | 2015-10-27 | — | — | US | disclosed |
| US-20120135249-A1 | AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-05-31 | — | — | US | disclosed |
| US-20120135249-A1 | AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-05-31 | — | — | US | disclosed |
| US-20110024691-A1 | AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-02-03 | — | — | US | disclosed |
| US-20110024691-A1 | AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-02-03 | — | — | US | disclosed |
| US-7667043-B2 | Molecular structures with controllable electron conducting properties | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-02-23 | — | — | US | disclosed |
| US-7638632-B2 | 4-Ethynyl (1,2-dicyanobenzene)-4'-Ethynylphenyl-1(4,5-dicyanobenzene); 1,4-Bis(4-pyridyl)butadiyne; 4-ethynyl(pyridine)-4'-ethynylnaphthalene-1-pyridine; self-assembled mono-, multilayers/ supramolecular objects; three-terminal devices; logic switches;nanoelectronic ; computers; wires; dielectrics | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-12-29 | — | — | US | disclosed |
| US-7638632-B2 | 4-Ethynyl (1,2-dicyanobenzene)-4'-Ethynylphenyl-1(4,5-dicyanobenzene); 1,4-Bis(4-pyridyl)butadiyne; 4-ethynyl(pyridine)-4'-ethynylnaphthalene-1-pyridine; self-assembled mono-, multilayers/ supramolecular objects; three-terminal devices; logic switches;nanoelectronic ; computers; wires; dielectrics | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-12-29 | — | — | US | disclosed |
| US-20090270627-A1 | AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES | FRENCH ROGER HARQUAIL | 2009-10-29 | — | — | US | disclosed |
| US-20090270627-A1 | AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES | FRENCH ROGER HARQUAIL | 2009-10-29 | — | — | US | disclosed |
| US-20070215866-A1 | Novel molecular structures with controllable electron conducting properties | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-09-20 | — | — | 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 (4 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-20070215866-A1 | Novel molecular structures with controllable electron conducting properties | TYR, MITF, CRY2 | ESR1 352/4885ESR2 793/4885MAPT 231/4885 |
| US-20120135249-A1 | AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES | AHR, TYR, ARNT | ESR1 59/4885ESR2 159/4885MAPT 715/4885 |
| US-20110024691-A1 | AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES | AHR, TYR, ARNT | ESR1 59/4885ESR2 159/4885MAPT 715/4885 |
| US-20090270627-A1 | AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES | AHR, TYR, ARNT | ESR1 59/4885ESR2 159/4885MAPT 715/4885 |
“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.