Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Guaiacol. 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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 7/20 | 0.75 |
| ▸ | CA2 | P00918 | 6/20 | 0.75 |
| ▸ | TP53 | P04637 | 2/20 | 0.75 |
| ▸ | TSHR | P16473 | 2/20 | 0.75 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 4/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Guaiacol SCHEMBL3950813 | 0.94 | CA1 (0.78) | CA1CA2TP53TSHRMAPT | |
| Guaiacol SCHEMBL27638704 | 0.92 | CA1 (0.75) | CA1CA2TP53TSHRMAPT | |
| Guaiacol SCHEMBL27732358 | 0.88 | CA1 (0.75) | CA1CA2TP53TSHRMAPT | |
| Guaiacol SCHEMBL671733 | 0.87 | CA2 (1.00) | CA1CA2TP53TSHRMAPT | |
| Guaiacol SCHEMBL21626 | 0.87 | — | — | |
| Guaiacol SCHEMBL29454477 | 0.87 | — | — | |
| Guaiacol SCHEMBL18060602 | 0.86 | CA1 (0.72) | CA1CA2TP53TSHRMAPT | |
| Guaiacol SCHEMBL18060603 | 0.86 | CA1 (0.72) | CA1CA2TP53TSHRMAPT | |
| Guaiacol SCHEMBL7134809 | 0.85 | CA1 (0.86) | CA1CA2TP53TSHRMAPT | |
| Guaiacol SCHEMBL25403512 | 0.84 | CA2 (0.95) | CA1CA2TP53TSHRMAPT |
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-2574192-B1 | PROCESS FOR PREPARING AN ORTHO-SUBSTITUTED 5-HALOPHENOL AND A SYNTHESIS INTERMEDIATE THEREOF | RHODIA CHINA CO LTD (CN) | 2016-09-21 | — | — | EP | disclosed |
| US-8975431-B2 | Process for preparing an ortho-substituted 5-halophenol and a synthesis intermediate thereof | RHODIA OPERATIONS (FR) | 2015-03-10 | — | — | US | disclosed |
| EP-2574192-A1 | PROCESS FOR PREPARING AN ORTHO-SUBSTITUTED 5-HALOPHENOL AND A SYNTHESIS INTERMEDIATE THEREOF | Rhodia (China) Co., Ltd. (CN) | 2013-04-03 | — | — | EP | disclosed |
| US-20130066097-A1 | PROCESS FOR PREPARING AN ORTHO-SUBSTITUTED 5-HALOPHENOL AND A SYNTHESIS INTERMEDIATE THEREOF | RHODIA (CHINA) CO., LTD. (CN) | 2013-03-14 | — | — | US | disclosed |
| WO-2011143819-A1 | PROCESS FOR PREPARING AN ORTHO-SUBSTITUTED 5-HALOPHENOL AND A SYNTHESIS INTERMEDIATE THEREOF | RHODIA (CHINA) CO., LTD. (CN) | 2011-11-24 | — | — | 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 (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-20130066097-A1 | PROCESS FOR PREPARING AN ORTHO-SUBSTITUTED 5-HALOPHENOL AND A SYNTHESIS INTERMEDIATE THEREOF | HDHD5, HPD, NISCH | EGFR 1390/4885CA1 3337/4885CA2 2926/4885 |
“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.