Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Benzenethiol. 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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.35 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA3 | P07451 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Benzenethiol SCHEMBL27413317 | 1.00 | — | — | |
| Benzenethiol SCHEMBL15809974 | 0.96 | — | — | |
| Benzenethiol SCHEMBL28862443 | 0.96 | ALDH1A1 (0.43) | ALDH1A1IDO1TSHRCA1CA2 | |
| SCHEMBL22047568 | 0.96 | ALDH1A1 (0.43) | ALDH1A1IDO1TSHRCA1CA2 | |
| Benzenethiol SCHEMBL10796991 | 0.96 | ALDH1A1 (0.43) | ALDH1A1IDO1TSHRCA1CA2 | |
| Benzenethiol SCHEMBL2574156 | 0.96 | ALDH1A1 (0.43) | ALDH1A1IDO1TSHRCA1CA2 | |
| Benzenethiol SCHEMBL67 | 0.96 | — | — | |
| Benzenethiol SCHEMBL490106 | 0.96 | ALDH1A1 (0.43) | ALDH1A1IDO1TSHRCA1CA2 | |
| Benzenethiol SCHEMBL28175977 | 0.93 | TSHR (0.39) | ALDH1A1IDO1TSHRCA1CA2 | |
| Benzenethiol SCHEMBL20523592 | 0.92 | — | — |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8450358-B2 | Enantiomers of spiro-oxindole compounds and their uses as therapeutic agents | XENON PHARMACEUTICALS INC. (CA) | 2013-05-28 | — | — | US | claimed |
| US-8449602-B2 | Methods for using a stent having nanoporous layers | MEDTRONIC VASCULAR, INC. (US) | 2013-05-28 | — | — | US | claimed |
| JP-4103568-A | — | — | None | — | — | JP | disclosed |
| WO-2021198191-A1 | QUINAZOLINONE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER | ENYO PHARMA (FR) | 2021-10-07 | — | — | WO | disclosed |
| CN-113025409-A | Diesel engine oil complexing agent and preparation method thereof | 东风嘉实多油品有限公司 | 2021-06-25 | — | — | CN | disclosed |
| CN-109627264-B | Target mitochondrial perylene anhydride fluorescent probe and synthetic method and application thereof | 河北大学 | 2021-01-05 | — | — | CN | disclosed |
| EP-3500555-A1 | HIGH REFRACTIVE INDEX LIQUIDS BASED ON META-SUBSTITUTED S-ALKYL THIOETHERS | BASF SE (DE) | 2019-06-26 | — | — | EP | disclosed |
| US-20190169157-A1 | HIGH REFRACTIVE INDEX LIQUIDS BASED ON META-SUBSTITUTED S-ALKYL THIOETHERS | BASF SE (DE) | 2019-06-06 | — | — | US | disclosed |
| US-10287245-B2 | Liquid thioether carboxylic acid esters | BASF SE (DE) | 2019-05-14 | — | — | US | disclosed |
| US-20180127363-A1 | LIQUID THIOETHER CARBOXYLIC ACID ESTERS | BASF SE (DE) | 2018-05-10 | — | — | US | disclosed |
| WO-2018033493-A1 | HIGH REFRACTIVE INDEX LIQUIDS BASED ON META-SUBSTITUTED S-ALKYL THIOETHERS | BASF SE (DE) | 2018-02-22 | — | — | WO | disclosed |
| CN-1382120-A | Method of producing n-(4,5-bis-(methanesulfonyl)-2-methyl-benzoyl)-guanidine, hydrochloride thereof | MERCK PATENT GMBH (DE) | 2002-11-27 | — | — | CN | disclosed |
| EP-0934330-A1 | BASE-PROTECTED NUCLEOTIDE ANALOGS WITH PROTECTED THIOL GROUPS | Hanna, Michelle M. (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998003532-A9 | BASE-PROTECTED NUCLEOTIDE ANALOGS WITH PROTECTED THIOL GROUPS | — | 1998-05-28 | — | — | WO | disclosed |
| WO-1998003532-A1 | BASE-PROTECTED NUCLEOTIDE ANALOGS WITH PROTECTED THIOL GROUPS | HANNA MICHELLE M (US) | 1998-01-29 | — | — | WO | disclosed |
| JP-H04103568-A | THIOPHENOL ESTER AND DEVICE OF MEASURING HYDROLASE USING THE SAME THIOPHENOL ETHER | TERUMO CORP | 1992-04-06 | — | — | JP | disclosed |
| US-4829101-A | SHELL-CORE POLYMERS | ROHM GMBH (DE) | 1989-05-09 | — | — | US | disclosed |
| US-4710525-A | SHELL-CORE | ROHM GMBH (DE) | 1987-12-01 | — | — | US | disclosed |
| US-4186017-A | Light-sensitive copying composition | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-01-29 | — | — | US | disclosed |
| US-4021243-A | Diazo light-sensitive copying composition and process of using in the manufacture of screen printing stencils | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-05-03 | — | — | 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 (3 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-20180127363-A1 | LIQUID THIOETHER CARBOXYLIC ACID ESTERS | ALAD, TIPRL, CA7 | ACHE 1562/4885HDAC8 535/4885ALDH1A1 1899/4885 |
| US-20190169157-A1 | HIGH REFRACTIVE INDEX LIQUIDS BASED ON META-SUBSTITUTED S-ALKYL THIOETHERS | VSIR, LBR, TRRAP | ACHE 1853/4885HDAC8 425/4885ALDH1A1 2434/4885 |
| US-10287245-B2 | Liquid thioether carboxylic acid esters | ALAD, TIPRL, CA7 | ACHE 1562/4885HDAC8 535/4885ALDH1A1 1899/4885 |
“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.