Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.60 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.60 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.60 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.60 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.60 |
| ▸ | CA9 | Q16790 | 2/20 | 0.60 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.60 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.50 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.48 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.48 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
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 SCHEMBL9363005 | 0.95 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| Guaiacol SCHEMBL3289583 | 0.95 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| Guaiacol SCHEMBL9419753 | 0.95 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| Guaiacol SCHEMBL6063786 | 0.95 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| Guaiacol SCHEMBL3288239 | 0.95 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| Guaiacol SCHEMBL9192643 | 0.81 | CA1 (0.44) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL5308636 | 0.76 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL29351917 | 0.76 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL105872 | 0.76 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL9793057 | 0.74 | CA1 (0.93) | CA1CA2CA7CA9CA12 |
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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2054365-A2 | METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES | Uniban - Universidade Bandeirante De São Paulo (BR) | 2009-05-06 | — | — | EP | claimed |
| WO-2008003155-A2 | METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES | UNIBAN - UNIVERSIDADE BANDEIRANTE DE SÃO PAULO - ACADEMIA PAULISTA ANCHIETA S/C LTDA (BR) | 2008-01-10 | — | — | WO | claimed |
| EP-3535243-B1 | SUBSTITUTED 9H-XANTHEN-9-ONE, 9H-THIOXANTHEN-9-ONE AND ACRIDIN-9(10H)-ONE DERIVATIVES AND RELATED COMPOUNDS CSF-1R INHIBITORS FOR THE TREATMENT OF CANCER | AUCKLAND UNISERVICES LTD (NZ) | 2021-12-15 | — | — | EP | disclosed |
| US-11028064-B2 | Tricyclic heterocyclic derivatives and uses thereof | AUCKLAND UNISERVICES LIMITED (NZ) | 2021-06-08 | — | — | US | disclosed |
| US-10968313-B2 | Amine polymer and preparation method and use thereof | CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2021-04-06 | — | — | US | disclosed |
| EP-3385299-B1 | AMINE POLYMER AND PREPARATION METHOD AND USE THEREOF. | CHINA PETROLEUM & CHEM CORP (CN) | 2020-11-04 | — | — | EP | disclosed |
| US-20190276423-A1 | TRICYCLIC HETEROCYCLIC DERIVATIVES AND USES THEREOF | AUCKLAND UNISERVICES LIMITED (NZ) | 2019-09-12 | — | — | US | disclosed |
| EP-2574187-B1 | SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME | AMYRIS INC (US) | 2019-09-11 | — | — | EP | disclosed |
| EP-3535243-A2 | TRICYCLIC HETEROCYCLIC DERIVATIVES AND USES THEREOF | Auckland Uniservices Limited (NZ) | 2019-09-11 | — | — | EP | disclosed |
| US-20180362710-A1 | AMINE POLYMER AND PREPARATION METHOD AND USE THEREOF | RESEARCH INSTITUTE OF PETROLEUM PROCESSING, SINOPEC (CN) | 2018-12-20 | — | — | US | disclosed |
| EP-3385299-A1 | AMINE POLYMER AND PREPARATION METHOD AND USE THEREOF. | China Petroleum & Chemical Corporation (CN) | 2018-10-10 | — | — | EP | disclosed |
| US-4116891-A | FROM CYCLIC HALOPHOSPHAZENES, LEWIS ACID | ARMSTRONG CORK COMPANY (US) | 1978-09-26 | — | — | US | disclosed |
| US-4110421-A | Catalytic process for the preparation of phosphazene polymers | ARMSTRONG CORK COMPANY (US) | 1978-08-29 | — | — | US | disclosed |
| US-4108805-A | FIRE RETARDANT | ARMSTRONG CORK COMPANY (US) | 1978-08-22 | — | — | US | disclosed |
| US-4107108-A | FOAMED FIRE-RETARDANT | ARMSTRONG CORK COMPANY (US) | 1978-08-15 | — | — | US | disclosed |
| US-4073824-A | FIRE RETARDANT, NONSMOKING | ARMSTRONG CORK COMPANY (US) | 1978-02-14 | — | — | US | disclosed |
| US-4055545-A | SOLID CARBOXYLIC ACID | ARMSTRONG CORK COMPANY (US) | 1977-10-25 | — | — | US | disclosed |
| US-4055520-A | FIRE RETARDANT | ARMSTRONG CORK COMPANY (US) | 1977-10-25 | — | — | US | disclosed |
| US-4055523-A | FIRE RETARDANT | ARMSTRONG CORK COMPANY (US) | 1977-10-25 | — | — | US | disclosed |
| US-4026838-A | INCORPORATING A SOLID CARBOXYLIC ACID | ARMSTRONG CORK COMPANY (US) | 1977-05-31 | — | — | 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-11028064-B2 | Tricyclic heterocyclic derivatives and uses thereof | CSF3R, CSF1R, FLT3 | CA1 2186/4885CA2 2606/4885CA12 2779/4885 |
| US-20190276423-A1 | TRICYCLIC HETEROCYCLIC DERIVATIVES AND USES THEREOF | CSF3R, CSF1R, FLT3 | CA1 2186/4885CA2 2606/4885CA12 2779/4885 |
“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.