Benzene

Benzene

SCHEMBL8215016

Br.Br.c1ccccc1.c1ccccc1

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

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 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.75
TP53 P04637 1/20 0.75
ALDH1A1 P00352 1/20 0.30
NAPRT Q6XQN6 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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 SCHEMBL2939929 1.00 TSHR (0.75) TSHRTP53ALDH1A1NAPRTTDP1
Benzene SCHEMBL1033046 1.00
Benzene SCHEMBL28428218 1.00 TSHR (0.75) TSHRTP53ALDH1A1NAPRTTDP1
Benzene SCHEMBL9860731 1.00 TSHR (0.75) TSHRTP53ALDH1A1NAPRTTDP1
Benzene SCHEMBL5898844 1.00
Benzene SCHEMBL9860727 1.00 TSHR (0.75) TSHRTP53ALDH1A1NAPRTTDP1
Benzene SCHEMBL9860060 1.00 TSHR (0.75) TSHRTP53ALDH1A1NAPRTTDP1
Benzene SCHEMBL5320320 1.00
Benzene SCHEMBL2939930 1.00 TSHR (0.75) TSHRTP53ALDH1A1NAPRTTDP1
Benzene SCHEMBL5320317 1.00 TSHR (0.75) TSHRTP53ALDH1A1NAPRTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104131461-B A kind of composition and method of making the same for field of textiles and purposes GUANGDONG NIKEER CLOTHES CO., LTD. (CN) 2016-03-09 CN claimed
CN-104131461-A Composition used in textile field and preparation method and use thereof YIN LEI 2014-11-05 CN claimed
US-5384232-A Process for rapid access development of silver halide films using pyridinium as development accelerators E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-24 US claimed
EP-3600656-B1 UNSYMMETRICAL SALTS, CCC-NHC PINCER METAL COMPLEXES, AND METHODS OF MAKING THE SAME UNIV MISSISSIPPI STATE (US) 2025-01-15 EP disclosed
CN-116324060-B Composite fiber and fiber structure comprising same 可乐丽贸易株式会社 2024-05-14 CN disclosed
CN-112839922-B Hydrophilic and in particular water-soluble DBOV derivatives 马克斯·普朗克索赔科学公司 2024-04-02 CN disclosed
CN-117580824-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2024-02-20 CN disclosed
CN-116324060-A Composite fiber and fiber structure comprising same 可乐丽贸易株式会社 2023-06-23 CN disclosed
US-11618745-B2 Unsymmeirical salts, CCC-NHC pincer metal complexes, and methods of making the same MISSISSIPPI STATE UNIVERSITY (US) 2023-04-04 US disclosed
CN-110358106-A A kind of anion frame metal-organic framework material and its preparation method and application of pair of nitro-aromatic explosive sensing 湖北师范大学 2019-10-22 CN disclosed
CN-104115236-B Composition and the conductor formed by it 道康宁公司 2017-12-19 CN disclosed
CN-104115236-A COMPOSITION AND CONDUCTOR FORMED THEREFROM DOW CORNING 2014-10-22 CN disclosed
CN-103642042-A Synthetic method of polyphenylene sulfide UNIV SHANGHAI 2014-03-19 CN disclosed
CN-102909079-A Methyl aromatics oxidation catalyst system CHINA PETROLEUM & CHEMICAL 2013-02-06 CN disclosed
CN-101497566-A Preparation of 2,5-bis(2,2,2-trifluoro ethoxy) benzene carbonic acid Taicang Pharmaceutical Factory (CN) 2009-08-05 CN disclosed
CN-1258325-A Fibres made from long chain branched syndiotactic vinyl aromatic polymers DOW CHEMICAL CO (US) 2000-06-28 CN disclosed
WO-1998021521-A9 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS AND METHODS OF USE CALIFORNIA INST OF TECHN (US) 2000-03-02 WO disclosed
US-4548686-A BROMINE PGOTOCATALYST THE DOW CHEMICAL COMPANY (US) 1985-10-22 US disclosed
WO-1984000358-A1 SELECTIVE CATALYTIC PHOTOCHLORINATION OF 1,1-DICHLOROETHANE DOW CHEMICAL CO (US) 1984-02-02 WO disclosed
EP-0096404-A1 Selective catalytic photochlorination of 1,1-dichloroethane THE DOW CHEMICAL COMPANY (US) 1983-12-21 EP 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-11618745-B2 Unsymmeirical salts, CCC-NHC pincer metal complexes, and methods of making the same NDC1, INO80C, HLCS TSHR 4507/4885TP53 365/4885ALDH1A1 3911/4885

“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.