Benzene

Benzene

SCHEMBL28071676

O=P([O-])([O-])O.[Na+].[Na+].c1ccccc1

nearest known ligand 0.50

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Known targets — ChEMBL curated mechanism

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

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 13)

geneUniProtsupporting neighboursconfidence
▸ SLC34A1 Q06495 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ CA4 P22748 3/20 0.40
▸ CA5A P35218 3/20 0.40
▸ CA2 P00918 2/20 0.40
▸ SRC P12931 2/20 0.35
▸ CFTR P13569 1/20 0.35
▸ CA1 P00915 2/20 0.33
▸ CA5B Q9Y2D0 2/20 0.33
▸ PTPN1 P18031 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.

Compoundsimilaritytop predictedshared targets
Benzene SCHEMBL28499063 0.92 SLC34A1 (0.61) SLC34A1KDM4ECYP2C19KMT2ALMNA
Benzene SCHEMBL28491007 0.92 SLC34A1 (0.50) SLC34A1KDM4ECYP2C19KMT2ALMNA
Phosphoric Acid SCHEMBL9199741 0.91 — —
Phosphoric Acid SCHEMBL7197188 0.87 SLC34A1 (0.64) SLC34A1KDM4ECYP2C19KMT2ALMNA
Phosphoric Acid SCHEMBL11660 0.87 — —
Phosphoric Acid SCHEMBL29675038 0.87 — —
Phosphoric Acid SCHEMBL736578 0.87 SLC34A1 (0.64) SLC34A1KDM4ECYP2C19KMT2ALMNA
Phosphoric Acid SCHEMBL5908781 0.83 LMNA (0.50) SLC34A1KDM4ECYP2C19KMT2ALMNA
Phosphoric Acid SCHEMBL669651 0.82 SLC34A1 (0.58) SLC34A1KDM4ECYP2C19KMT2ALMNA
Phosphoric Acid SCHEMBL3178457 0.82 SLC34A1 (0.58) SLC34A1KDM4ECYP2C19KMT2ALMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025244531-A1 HIGH CONCENTRATION PHOSPHATASE COMPOSITIONS AM-PHARMA B.V. (NL) 2025-11-27 — — WO disclosed
CN-109280353-B Automobile inner and outer parts 马自达汽车株式会社 2020-12-29 — — CN disclosed
CN-111551528-A Method for detecting activity of litter acid phosphatase 南京林业大学 2020-08-18 — — CN disclosed
CN-105669331-A Mining area land repair agent and repair method 中煤平朔集团有限公司 2016-06-15 — — CN disclosed
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