Benzene

Benzene

SCHEMBL38020

CCCCCCCCCCCCOS(=O)(=O)O.c1ccccc1

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

S1PR1S1PR2S1PR3S1PR4S1PR5rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 20)

geneUniProtsupporting neighboursconfidence
S1PR3 known ✓ Q99500 1/20 0.45
CA1 P00915 10/20 0.55
CA2 P00918 10/20 0.55
CA9 Q16790 8/20 0.55
CA12 O43570 3/20 0.55
CA7 P43166 3/20 0.55
CA14 Q9ULX7 3/20 0.55
CA3 P07451 2/20 0.55
CA4 P22748 2/20 0.55
CA6 P23280 2/20 0.55
CA5A P35218 2/20 0.55
CA5B Q9Y2D0 2/20 0.55
RECQL P46063 2/20 0.53
TSHR P16473 2/20 0.53
GLA P06280 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
EPHX2 P34913 1/20 0.53
BLM P54132 1/20 0.53
FNTA P49354 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.

Compoundsimilaritytop predictedshared targets
Benzene SCHEMBL6157369 1.00 CA1 (0.55) CA1CA2CA9CA12CA7
Benzene SCHEMBL11677157 1.00 CA1 (0.55) CA1CA2CA9CA12CA7
Benzene SCHEMBL7806416 0.98 CA1 (0.53) CA1CA2CA9CA12CA7
Benzene SCHEMBL10842409 0.98 CA1 (0.53) CA1CA2CA9CA12CA7
Benzene SCHEMBL16294960 0.98 CA1 (0.53) CA1CA2CA9CA12CA7
Benzene SCHEMBL4610944 0.96 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL374800 0.94 CA1 (0.61) CA1CA2CA9CA12CA7
Octadecyl Sulfate SCHEMBL41459 0.94 CA1 (0.61) CA1CA2CA9CA12CA7
SCHEMBL22283885 0.94 CA1 (0.61) CA1CA2CA9CA12CA7
SCHEMBL10583495 0.94 CA1 (0.61) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119956435-A Simple production method of foam metal 广州三孚新材料科技股份有限公司 2025-05-09 CN claimed
CN-119932656-A Large-scale preparation method of ultrathin foam copper 广州三孚新材料科技股份有限公司 2025-05-06 CN claimed
US-12057585-B2 Conductive composition for secondary battery GRST INTERNATIONAL LIMITED (CN) 2024-08-06 US claimed
US-20230343963-A1 CONDUCTIVE COMPOSITION FOR SECONDARY BATTERY GRST INTERNATIONAL LIMITED (HK) 2023-10-26 US claimed
EP-4094315-A1 CONDUCTIVE COMPOSITION FOR SECONDARY BATTERY GRST International Limited (CN) 2022-11-30 EP claimed
EP-3865112-B1 METHOD FOR MAKING COMPOSITION FOR ENAMEL REGENERATION UNIV XIAN SCI & TECHNOLOGY (CN) 2022-05-11 EP claimed
WO-2021254155-A1 CONDUCTIVE COMPOSITION FOR SECONDARY BATTERY GUANGDONG HAOZHI TECHNOLOGY CO. LIMITED (CN) 2021-12-23 WO claimed
US-20210315209-A1 AEROSOL AGENT FOR INSECT PEST CONTROL AND INSECT PEST CONTROL METHOD DAINIHON JOCHUGIKU CO., LTD. (JP) 2021-10-14 US claimed
CN-112584705-A Aerosol agent for controlling insect pests and method for controlling insect pests 大日本除虫菊株式会社 2021-03-30 CN claimed
CN-111172521-A Method for metallizing surface of liquid crystal high molecular polymer 广州三孚新材料科技股份有限公司 2020-05-19 CN claimed
US-4904466-A Polymers which form gels at low concentrations in water BASF CORPORATION (US) 1990-02-27 US claimed
US-20250167196-A1 A Conductive Composition GRST SINGAPORE PTE. LTD. (SG) 2025-05-22 US disclosed
CN-119956435-A Simple production method of foam metal 广州三孚新材料科技股份有限公司 2025-05-09 CN disclosed
CN-119932656-A Large-scale preparation method of ultrathin foam copper 广州三孚新材料科技股份有限公司 2025-05-06 CN disclosed
EP-4457881-A1 A CONDUCTIVE COMPOSITION GRST International Limited (HK) 2024-11-06 EP disclosed
WO-1994019000-A1 MICROEMULSIONS CONTAINING PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 1994-09-01 WO disclosed
US-4904466-A Polymers which form gels at low concentrations in water BASF CORPORATION (US) 1990-02-27 US disclosed
US-4810503-A POLYETHER CAPPED WITH ALPHA-OLEFIN EPOXIDE HAVING 20 TO 45 CARBONS BASF CORPORATION (US) 1989-03-07 US disclosed
US-4592875-A Ratio of oxyethylene to oxyalkylene groups ATLANTIC RICHFIELD COMPANY (US) 1986-06-03 US disclosed
US-4169817-A PROTEASE MIDWEST BIOCHEMICAL CORPORATION (US) 1979-10-02 US disclosed