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 2)
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28318427 | 1.00 | TP53 (0.60) | TP53TSHR | |
| Benzene SCHEMBL21750611 | 0.91 | TP53 (0.50) | TP53TSHR | |
| Benzene SCHEMBL1033046 | 0.89 | — | — | |
| Benzene SCHEMBL2939930 | 0.89 | TSHR (0.75) | TP53TSHR | |
| Benzene SCHEMBL5320320 | 0.89 | — | — | |
| Benzene SCHEMBL5317629 | 0.89 | TSHR (0.75) | TP53TSHR | |
| Benzene SCHEMBL8215016 | 0.89 | TSHR (0.75) | TP53TSHR | |
| Benzene SCHEMBL9860727 | 0.89 | TSHR (0.75) | TP53TSHR | |
| Benzene SCHEMBL5898844 | 0.89 | — | — | |
| Benzene SCHEMBL9860060 | 0.89 | TSHR (0.75) | TP53TSHR |
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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114163294-B | Preparation method of 2-bromo-5-fluorobenzotrifluoride | 阜新宇泽化工有限公司 | 2023-12-26 | — | — | CN | claimed |
| CN-111448161-B | Halogenated heteroalkenyl and heteroalkyl functionalized organic compounds and methods of making these compounds | 阿科玛股份有限公司 | 2024-05-14 | — | — | CN | disclosed |
| CN-117801191-A | Multi-copolymer, preparation method and application thereof, halogenated branched butyl rubber, and preparation method and application thereof | 中国石油天然气股份有限公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-114163294-B | Preparation method of 2-bromo-5-fluorobenzotrifluoride | 阜新宇泽化工有限公司 | 2023-12-26 | — | — | CN | disclosed |
| CN-114163294-A | Preparation method of 2-bromo-5-fluorobenzotrifluoride | 阜新宇泽化工有限公司 | 2022-03-11 | — | — | CN | disclosed |
| US-9150554-B2 | Fused ring inhibitors of hepatitis C | PRESIDIO PHARMACEUTICALS, INC. (US) | 2015-10-06 | — | — | US | disclosed |
| US-9120779-B2 | Inhibitors of HCV NS5A | PRESIDIO PHARMACEUTICALS, INC. (US) | 2015-09-01 | — | — | US | disclosed |
| US-8999967-B2 | Tricyclic fused ring inhibitors of hepatitis C | PRESIDIO PHARMACEUTICALS, INC. (US) | 2015-04-07 | — | — | US | disclosed |
| US-20150057218-A1 | INHIBITORS OF HCV NS5A | PRESIDIO PHARMACEUTICALS INC (US) | 2015-02-26 | — | — | US | disclosed |
| US-20150038501-A1 | INHIBITORS OF HCV NS5A | PRESIDIO PHARMACEUTICALS, INC. | 2015-02-05 | — | — | US | disclosed |
| CN-101103977-A | Therapeutic agent for diabetes | INST MED MOLECULAR DESIGN INC (JP) | 2008-01-16 | — | — | CN | disclosed |
| EP-1427408-A4 | CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$g(a) CONVERTING ENZYME (TACE) | BRISTOL MYERS SQUIBB CO (US) | 2005-10-26 | — | — | EP | disclosed |
| CN-1658849-A | Inhibitors of AP-1 and NFAT activation | INST MED MOLECULAR DESIGN INC (JP) | 2005-08-24 | — | — | CN | disclosed |
| CN-1658872-A | Antiallergic agent | INST MED MOLECULAR DESIGN INC (JP) | 2005-08-24 | — | — | CN | disclosed |
| CN-1658850-A | Therapeutic agent for diabetes | INST MED MOLECULAR DESIGN INC (JP) | 2005-08-24 | — | — | CN | disclosed |
| CN-1658854-A | Immune related protein kinase inhibitors | INST MED MOLECULAR DESIGN INC (JP) | 2005-08-24 | — | — | CN | disclosed |
| EP-1427408-A2 | CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$g(a) CONVERTING ENZYME (TACE) | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-06-16 | — | — | EP | disclosed |
| US-6740649-B2 | ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS | BRISTOL-MYERS SQUIBB COMPANY | 2004-05-25 | — | — | US | disclosed |
| US-20030139388-A1 | Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) | BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) | 2003-07-24 | — | — | US | disclosed |
| WO-2003024899-A2 | CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-03-27 | — | — | WO | 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-20030139388-A1 | Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) | ADAMTS1, MMP1, ADAM17 | TP53 2708/4885TSHR 2004/4885 |
| US-20150057218-A1 | INHIBITORS OF HCV NS5A | HAVCR2, MAVS, EIF2AK2 | TP53 224/4885TSHR 4331/4885 |
| US-20150038501-A1 | INHIBITORS OF HCV NS5A | HAVCR2, MAVS, EIF2AK2 | TP53 224/4885TSHR 4331/4885 |
“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.