Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.49 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | COMT | P21964 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2935501 | 0.93 | ESR1 (0.54) | ESR1TSHRCYP1A2CYP2C19LMNA | |
| SCHEMBL2935502 | 0.87 | ESR1 (0.49) | ESR1TSHRCYP1A2CYP2C19LMNA | |
| SCHEMBL6206616 | 0.82 | ALDH1A1 (0.54) | TSHRCYP1A2SMN1; SMN2NPC1RAB9A | |
| Protiofate SCHEMBL871311 | 0.82 | MAPT (0.50) | ESR1TSHRCYP1A2CYP2C19LMNA | |
| SCHEMBL1086028 | 0.80 | KMT2A (0.56) | TSHRLMNAMAPK1TDP1L3MBTL1 | |
| SCHEMBL1720659 | 0.78 | KMT2A (0.54) | TSHRLMNAMAPK1TDP1L3MBTL1 | |
| SCHEMBL11095728 | 0.77 | GAA (0.50) | TSHRSMN1; SMN2NPC1RAB9ACYP3A4 | |
| Protiofate SCHEMBL5378233 | 0.76 | MAPT (0.45) | ESR1TSHRLMNASMN1; SMN2NPC1 | |
| SCHEMBL1141274 | 0.74 | GAA (0.56) | TSHRCYP1A2LMNASMN1; SMN2NPC1 | |
| SCHEMBL11099233 | 0.74 | ALDH1A1 (0.48) | TSHRCYP1A2SMN1; SMN2NPC1RAB9A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1298133-B1 | Procedure for the alkylation of 3,4-dihydroxythiophene-2,5-dicarboxylic esters | BAYER CHEMICALS AG (DE) | 2005-01-19 | — | — | EP | claimed |
| US-6750354-B2 | ALKYLATION OF 3,4- DIHYDROXYTHIOPHENE-2, 5-DICARBOXYLIC ESTERS OR THEIR ALKALI METAL OR ALKALINE EARTH METAL SALTS WITH ALKYLATING AGENTS IN A POLAR DILUENT IN THE PRESENCE OF QUATERNARY ONIUM SALTS | BAYER AKTIENGESELLSCHAFT (DE) | 2004-06-15 | — | — | US | claimed |
| US-20030097007-A1 | Process for the alkylation of 3,4-dihydroxythiophene-2,5-dicarboxylic esters | H. C. STARCK GMBH (DE) | 2003-05-22 | — | — | US | claimed |
| US-6750354-B2 | ALKYLATION OF 3,4- DIHYDROXYTHIOPHENE-2, 5-DICARBOXYLIC ESTERS OR THEIR ALKALI METAL OR ALKALINE EARTH METAL SALTS WITH ALKYLATING AGENTS IN A POLAR DILUENT IN THE PRESENCE OF QUATERNARY ONIUM SALTS | BAYER AKTIENGESELLSCHAFT (DE) | 2004-06-15 | — | — | US | disclosed |
| US-20030097007-A1 | Process for the alkylation of 3,4-dihydroxythiophene-2,5-dicarboxylic esters | H. C. STARCK GMBH (DE) | 2003-05-22 | — | — | 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 (1 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-20030097007-A1 | Process for the alkylation of 3,4-dihydroxythiophene-2,5-dicarboxylic esters | DIMT1, AS3MT, DDT | ESR1 1577/4885TSHR 3772/4885CYP1A2 298/4885 |
“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.