Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | APEX1 | P27695 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20857410 | 0.79 | TRPA1 (0.34) | TRPA1GLATDP1CA12CA1 | |
| Bromide SCHEMBL4134863 | 0.76 | MAPT (0.49) | TDP1ALDH1A1TSHRCYP3A4ALOX5 | |
| Bromide SCHEMBL4134861 | 0.76 | MAPT (0.49) | TDP1ALDH1A1TSHRCYP3A4ALOX5 | |
| Bromide SCHEMBL4128855 | 0.74 | EGFR (0.38) | ALDH1A1CYP3A4KMT2AMEN1MAPT | |
| Bromide SCHEMBL4128852 | 0.74 | EGFR (0.38) | ALDH1A1CYP3A4KMT2AMEN1MAPT | |
| Bromide SCHEMBL2448830 | 0.73 | HIF1A (0.43) | TDP1HIF1AALDH1A1TSHRMAPT | |
| Bromide SCHEMBL4354126 | 0.72 | SIGMAR1 (0.45) | KMT2AMEN1 | |
| Bromide SCHEMBL11378480 | 0.71 | GLA (0.50) | GLATDP1ALDH1A1TSHRAKR1C3 | |
| Bromide SCHEMBL3963166 | 0.70 | HIF1A (0.36) | TDP1HIF1AALDH1A1TSHRCYP3A4 | |
| SCHEMBL8319776 | 0.69 | KMT2A (0.33) | ESR1KMT2AMEN1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106467464-B | (E) -2-isopropyl-5-methyl-3, 5-hexadienoic acid ester compound and production method and application thereof | 信越化学工业株式会社 | 2020-12-29 | — | — | CN | disclosed |
| EP-3133053-B1 | (E)-ISOPROPYL-5-METHYL-3,5-HEXADIENOATE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHODS FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOL AND (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENYL CARBOXYLATE BY USING THE SAME | SHINETSU CHEMICAL CO (JP) | 2018-01-17 | — | — | EP | disclosed |
| US-9725400-B2 | (E)-2-isopropyl-5-methyl-3,5-hexadienoate compound, method for producing the same, and methods for producing (E)-2-isopropyl-5-methyl-3,5-hexadienol and (E)-2-isopropyl-5-methyl-3,5-hexadienyl carboxylate by using the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-08-08 | — | — | US | disclosed |
| US-20170050913-A1 | (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOATE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHODS FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOL AND (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENYL CARBOXYLATE BY USING THE SAME | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-02-23 | — | — | US | disclosed |
| EP-3133053-A1 | (E)-ISOPROPYL-5-METHYL-3,5-HEXADIENOATE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHODS FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOL AND (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENYL CARBOXYLATE BY USING THE SAME | Shin-Etsu Chemical Co., Ltd. (JP) | 2017-02-22 | — | — | EP | 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-20170050913-A1 | (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOATE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHODS FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOL AND (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENYL CARBOXYLATE BY USING THE SAME | SHBG, GNE, PGRMC2 | TRPA1 2034/4885GLA 1339/4885TDP1 4560/4885 |
“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.