Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.59 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NCK1 | P16333 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4312702 | 0.93 | CYP2A6 (0.61) | CYP1A2CYP2A6TDP1ALDH1A1NCK1 | |
| SCHEMBL1721014 | 0.85 | CYP1A2 (0.44) | CYP1A2CYP2A6ALDH1A1SLC6A2SLC6A3 | |
| SCHEMBL29707612 | 0.85 | CYP1A2 (0.44) | CYP1A2CYP2A6ALDH1A1SLC6A2SLC6A3 | |
| SCHEMBL14948435 | 0.84 | CYP2A6 (0.45) | CYP1A2CYP2A6TDP1SLC6A2SLC6A4 | |
| SCHEMBL10986585 | 0.84 | CYP2A6 (0.46) | CYP1A2CYP2A6TDP1ALDH1A1SLC6A2 | |
| SCHEMBL7840203 | 0.83 | AKR1B1 (0.43) | CYP1A2CYP2A6TDP1ALDH1A1KDM4E | |
| SCHEMBL5349984 | 0.80 | CYP1A2 (0.41) | CYP1A2CYP2A6TDP1ALDH1A1SLC6A2 | |
| SCHEMBL14562409 | 0.79 | CYP2A6 (0.50) | CYP1A2CYP2A6TDP1SLC6A2SLC6A4 | |
| SCHEMBL29786773 | 0.79 | CYP1A2 (0.64) | CYP1A2CYP2A6TDP1ALDH1A1NCK1 | |
| SCHEMBL599076 | 0.79 | CYP1A2 (0.64) | CYP1A2CYP2A6TDP1ALDH1A1NCK1 |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2098527-B1 | NOVEL FUSED-RING AROMATIC COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF | NIPPON KAYAKU KK (JP) | 2016-03-30 | — | — | EP | disclosed |
| US-8232546-B2 | Fused polycyclic aromatic compound, process for producing the same, and use thereof | HIROSHIMA UNIVERSITY (JP) | 2012-07-31 | — | — | US | disclosed |
| US-20100065826-A1 | NOVEL FUSED POLYCYCLIC AROMATIC COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2010-03-18 | — | — | US | disclosed |
| EP-2098527-A1 | NOVEL FUSED-RING AROMATIC COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF | Hiroshima University (JP) | 2009-09-09 | — | — | EP | disclosed |
| US-7579417-B2 | For example, { mu-( eta 5-2-Methyl-8-phenyl-3H-cyclopenta[a]naphth-3-yl)( eta 5-2,5-dimethyldithiophenocyclopentadien-7-yl)dimethylsilanediyl]dichiorozirconium; catalyst for (co)polymerizing olefins comprising from 2 to 20 carbon atoms | BASELL POLYOLEFINE GMBH (DE) | 2009-08-25 | — | — | US | disclosed |
| US-7579417-B2 | For example, { mu-( eta 5-2-Methyl-8-phenyl-3H-cyclopenta[a]naphth-3-yl)( eta 5-2,5-dimethyldithiophenocyclopentadien-7-yl)dimethylsilanediyl]dichiorozirconium; catalyst for (co)polymerizing olefins comprising from 2 to 20 carbon atoms | BASELL POLYOLEFINE GMBH (DE) | 2009-08-25 | — | — | US | disclosed |
| US-7579417-B2 | For example, { mu-( eta 5-2-Methyl-8-phenyl-3H-cyclopenta[a]naphth-3-yl)( eta 5-2,5-dimethyldithiophenocyclopentadien-7-yl)dimethylsilanediyl]dichiorozirconium; catalyst for (co)polymerizing olefins comprising from 2 to 20 carbon atoms | BASELL POLYOLEFINE GMBH (DE) | 2009-08-25 | — | — | US | disclosed |
| EP-1697427-B1 | METALLOCENE COMPOUNDS | BASELL POLYOLEFINE GMBH (DE) | 2008-12-24 | — | — | EP | disclosed |
| EP-1697427-B1 | METALLOCENE COMPOUNDS | BASELL POLYOLEFINE GMBH (DE) | 2008-12-24 | — | — | EP | disclosed |
| US-20070112152-A1 | Metallocene compounds | BASELL POLYOLEFINE GMBH (DE) | 2007-05-17 | — | — | US | disclosed |
| US-5196422-A | Antiinflammatory agents, antiallergens | ICI PHARMA (FR) | 1993-03-23 | — | — | US | disclosed |
| US-5089513-A | Antiinflammatory agents; antiallergens; asthma; side effect reduction | ICI PHARMA (FR) | 1992-02-18 | — | — | US | disclosed |
| US-5004744-A | Durability; effectiveness at low concentration | BAYER AKTIENGESELLSCHAFT (DE) | 1991-04-02 | — | — | US | disclosed |
| EP-0373425-A2 | Substituted pyridazinones, their preparation method and their use as insecticides | BAYER AG (DE) | 1990-06-20 | — | — | EP | disclosed |
| US-4513005-A | SULFIDE OR SULFONE HYDROXY ACIDS | LILLY INDUSTRIES LIMITED (GB) | 1985-04-23 | — | — | US | disclosed |
| EP-0068739-B1 | SULPHUR-CONTAINING 5-HYDROXY-ALKANOIC ACID DERIVATIVES, THEIR USE AS PHARMACEUTICAL PREPARATIONS AND PROCESS FOR THEIR PRODUCTION | Lilly Industries Limited (GB) | 1984-11-14 | — | — | EP | disclosed |
| EP-0068739-A1 | Sulphur-containing 5-hydroxy-alkanoic acid derivatives, their use as pharmaceutical preparations and process for their production | Lilly Industries Limited (GB) | 1983-01-05 | — | — | EP | disclosed |
| US-4276305-A | INSECTICIDES, MITICIDES | HOFFMANN-LA ROCHE INC. (US) | 1981-06-30 | — | — | US | disclosed |
| EP-0014455-A2 | Cyclopropane(thiol)carboxylic-acid esters, processes for their preparation, pesticides containing such compounds and the use of such compounds as pesticides | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1980-08-20 | — | — | EP | disclosed |
| US-4112092-A | CNS DISORDER, PARKINSON'S, CARDIOVASCULAR DISORDER | SCIENCE UNION ET CIE (FR) | 1978-09-05 | — | — | 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-20070112152-A1 | Metallocene compounds | NR4A2, NR4A1, NR4A3 | CYP1A2 193/4885CYP2A6 1027/4885TDP1 4773/4885 |
| US-20100065826-A1 | NOVEL FUSED POLYCYCLIC AROMATIC COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF | ZFX, BMX, CYP4X1 | CYP1A2 615/4885CYP2A6 878/4885TDP1 4327/4885 |
“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.