Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRC | Q99895 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28493223 | 0.88 | ALDH1A1 (0.70) | ALDH1A1NPC1RAB9AKDM4EMEN1 | |
| SCHEMBL14241164 | 0.85 | ADORA3 (0.50) | CTRCALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL14226764 | 0.85 | ALDH1A1 (0.50) | CTRCALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL18019283 | 0.83 | CHEK1 (0.50) | CTRCALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL4259978 | 0.82 | CTRC (0.77) | CTRCALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL668838 | 0.82 | KDM4E (0.69) | ALDH1A1KDM4ETSHRLMNATDP1 | |
| SCHEMBL899267 | 0.81 | KDM4E (0.44) | CTRCALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL15131385 | 0.81 | RXRA (0.45) | ALDH1A1NPC1RAB9AKDM4EMEN1 | |
| SCHEMBL20256996 | 0.81 | SYK (0.43) | ALDH1A1KDM4EMAPTLMNAADORA3 | |
| SCHEMBL21172189 | 0.80 | ACACB (0.47) | CTRCALDH1A1NPC1RAB9AKDM4E |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2120569-B1 | SPIROCHROMANON DERIVATIVES | MERCK SHARP & DOHME (US) | 2013-08-14 | — | — | EP | disclosed |
| WO-2012168820-A1 | POLYMYXIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS | PFIZER INC. (US) | 2012-12-13 | — | — | WO | disclosed |
| WO-2012168820-A1 | POLYMYXIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS | PFIZER INC. (US) | 2012-12-13 | — | — | WO | disclosed |
| US-20120316105-A1 | Polymyxin Derivates Useful As Antibacterial Agents | PFIZER INC. | 2012-12-13 | — | — | US | disclosed |
| US-20120316105-A1 | Polymyxin Derivates Useful As Antibacterial Agents | PFIZER INC. | 2012-12-13 | — | — | US | disclosed |
| US-8138197-B2 | Spirochromanon derivatives | MSD K.K. (JP) | 2012-03-20 | — | — | US | disclosed |
| US-8138197-B2 | Spirochromanon derivatives | MSD K.K. (JP) | 2012-03-20 | — | — | US | disclosed |
| US-8138197-B2 | Spirochromanon derivatives | MSD K.K. (JP) | 2012-03-20 | — | — | US | disclosed |
| EP-2120569-A2 | SPIROCHROMANON DERIVATIVES | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| US-20090270436-A1 | SPIROCHROMANON DERIVATIVES | MERCK SHARP & DOHME LLC | 2009-10-29 | — | — | US | disclosed |
| US-20090270436-A1 | SPIROCHROMANON DERIVATIVES | MERCK SHARP & DOHME LLC | 2009-10-29 | — | — | US | disclosed |
| US-20090270436-A1 | SPIROCHROMANON DERIVATIVES | MERCK SHARP & DOHME LLC | 2009-10-29 | — | — | US | disclosed |
| WO-2008088692-A2 | SPIROCHROMANON DERIVATIVES | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | disclosed |
| WO-2008088692-A2 | SPIROCHROMANON DERIVATIVES | MERCK & CO., INC. (US) | 2008-07-24 | — | — | 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 (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-20090270436-A1 | SPIROCHROMANON DERIVATIVES | AKR1C3, CBR3, AKR1C4 | CTRC 1990/4885ALDH1A1 113/4885NPC1 2438/4885 |
| US-20120316105-A1 | Polymyxin Derivates Useful As Antibacterial Agents | NPEPPS, MDN1, PNKP | CTRC 2022/4885ALDH1A1 4774/4885NPC1 3863/4885 |
“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.