Benzene

Benzene

SCHEMBL630833

O.O.O=S(=O)([O-])NCl.[Na+].c1ccccc1

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Benzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.32
CA12 O43570 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32

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.

Compoundsimilaritytop predictedshared targets
Benzene SCHEMBL180753 0.97 CA12 (0.36) CA12CA2CA9MEN1ALDH1A1
SCHEMBL10445874 0.87
Potassium Ion SCHEMBL21753862 0.79
Lithium Ion SCHEMBL21753847 0.79
Toluene SCHEMBL7188331 0.78 LMNA (0.48) CA12CA2CA9MEN1ALDH1A1
Benzene SCHEMBL6886142 0.71 TSHR (0.46) CA12CA2CA9MEN1ALDH1A1
Benzene SCHEMBL1584200 0.71 TSHR (0.46) CA12CA2CA9MEN1ALDH1A1
Benzene SCHEMBL630832 0.69 ACP1 (0.33) TSHR
Benzene SCHEMBL3130121 0.67 TSHR (0.36) CA2ALDH1A1TSHR
Benzene SCHEMBL7603410 0.67 CA1 (0.43) CA12CA2CA9ALDH1A1

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2865743-B1 Improvements in dispensing devices RECKITT BENCKISER LLC (US) 2024-03-27 EP disclosed
EP-2952570-B1 IMPROVEMENTS IN DISPENSING DEVICES AND COMPOSITIONS THEREFOR RECKITT BENCKISER LLC (US) 2021-07-28 EP disclosed
EP-2191077-B1 CAGELESS DISPENSING DEVICE RECKITT BENCKISER LLC (US) 2017-03-15 EP disclosed
EP-3088616-A1 METHOD FOR PRODUCTION OF DISPENSING DEVICES Reckitt Benckiser LLC (US) 2016-11-02 EP disclosed
EP-2310583-B1 DISPENSING DEVICE FOR TOILET BOWL RECKITT BENCKISER LLC (US) 2016-10-05 EP disclosed
US-9334640-B2 Cageless dispensing device RECKITT BENCKISER LLC. (US) 2016-05-10 US disclosed
EP-2952570-A1 IMPROVEMENTS IN DISPENSING DEVICES AND COMPOSITIONS THEREFOR Reckitt Benckiser LLC (US) 2015-12-09 EP disclosed
EP-1996691-B1 IMPROVEMENTS IN DISPENSING DEVICES RECKITT BENCKISER LLC (US) 2015-05-06 EP disclosed
EP-2865743-A1 Improvements in dispensing devices Reckitt Benckiser LLC (US) 2015-04-29 EP disclosed
US-8966674-B2 Dispensing device for toilet bowl RECKITT BENCKISER LLC (US) 2015-03-03 US disclosed
US-20070003500-A1 Cleaning compositions RECKITT BENCKISER INC. (US) 2007-01-04 US disclosed
WO-2006136773-A1 LAVATORY BLOCK COMPOSITION RECKITT BENCKISER INC. (US) 2006-12-28 WO disclosed
CN-1882679-A Cleaning composition RECKITT BENCKISER INC (US) 2006-12-20 CN disclosed
CN-1882680-A Cleaning composition RECKITT BENCKISER INC (US) 2006-12-20 CN disclosed
EP-1685230-A1 CLEANING COMPOSITIONS Reckitt Benckiser Inc. (US) 2006-08-02 EP disclosed
EP-1685231-A1 CLEANING COMPOSITIONS Reckitt Benckiser Inc. (US) 2006-08-02 EP disclosed
WO-2006013318-A1 IMPROVEMENTS IN LAVATORY BLOCK COMPOSITIONS RECKITT BENCKISER INC (US) 2006-02-09 WO disclosed
WO-2005052110-A1 CLEANING COMPOSITIONS RECKITT BENCKISER INC (US) 2005-06-09 WO disclosed
WO-2005052111-A1 CLEANING COMPOSITIONS RECKITT BENCKISER INC (US) 2005-06-09 WO disclosed
US-4289640-A IMPROVED FOAMING AND DEGREASING PROPERTIES COLGATE-PALMOLIVE COMPANY (US) 1981-09-15 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070003500-A1 Cleaning compositions WASF2, NOTUM, ASF1A MEN1 4815/4885CA12 3673/4885CA2 3717/4885

“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.