Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 1/20 | 0.62 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.51 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.38 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.38 |
| ▸ | ABAT | P80404 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL12212992 | 1.00 | NPC1 (0.62) | NPC1RAB9AAKR1C3AKR1C1PDE4A | |
| SCHEMBL19218160 | 0.84 | CYP2A6 (0.44) | ALDH1A1ESR2ALDH5A1ABATMAOA | |
| SCHEMBL741455 | 0.84 | CYP2A6 (0.44) | ALDH1A1ESR2ALDH5A1ABATMAOA | |
| SCHEMBL12212993 | 0.82 | ALDH1A1 (0.68) | NPC1RAB9AALDH1A1 | |
| SCHEMBL12212991 | 0.82 | ALDH1A1 (0.68) | NPC1RAB9AALDH1A1 | |
| SCHEMBL12212990 | 0.81 | AKR1C3 (0.56) | NPC1RAB9AAKR1C3AKR1C1PDE4A | |
| SCHEMBL16574871 | 0.80 | NPC1 (0.51) | NPC1RAB9AAKR1C3AKR1C1PDE4A | |
| SCHEMBL16897589 | 0.80 | ALDH1A1 (0.45) | NPC1RAB9APDE4APDE4BPDE4C | |
| SCHEMBL8999823 | 0.79 | NPC1 (0.68) | NPC1RAB9AAKR1C3AKR1C1ESR2 | |
| SCHEMBL8536046 | 0.79 | NPC1 (0.68) | NPC1RAB9AAKR1C3AKR1C1ESR2 |
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-9464166-B2 | Production and use of 3,4' and 4,4'-dimethylbiphenyl isomers | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2016-10-11 | — | — | US | disclosed |
| US-20150080545-A1 | Production and Use of 3,4' and 4,4'-Dimethylbiphenyl Isomers | EXXONMOBIL CHEMICAL PATENTS INC. | 2015-03-19 | — | — | US | disclosed |
| US-20150080546-A1 | Production and Use of 3,4' and 4,4'-Dimethylbiphenyl Isomers | EXXONMOBIL CHEMICAL PATENTS INC. | 2015-03-19 | — | — | US | disclosed |
| US-20110250509-A1 | SECONDARY BATTERY AND ELECTRONIC DEVICE | SONY CORPORATION (JP) | 2011-10-13 | — | — | 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-20150080546-A1 | Production and Use of 3,4' and 4,4'-Dimethylbiphenyl Isomers | CYP4B1, HPD, DDT | NPC1 4871/4885RAB9A 4370/4885AKR1C3 187/4885 |
| US-20150080545-A1 | Production and Use of 3,4' and 4,4'-Dimethylbiphenyl Isomers | CYP4B1, HPD, DDT | NPC1 4871/4885RAB9A 4370/4885AKR1C3 187/4885 |
“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.