Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Benzene SCHEMBL11439058 | 0.87 | TSHR (0.67) | TSHRALDH1A1SMN1; SMN2GLAL3MBTL1 | |
| Benzene SCHEMBL137177 | 0.87 | — | — | |
| Alcohol SCHEMBL1899807 | 0.87 | — | — | |
| Alcohol SCHEMBL27265072 | 0.87 | ALDH1A1 (0.67) | TSHRALDH1A1SMN1; SMN2 | |
| Alcohol SCHEMBL27691654 | 0.87 | — | — | |
| Benzene SCHEMBL28209026 | 0.83 | TSHR (0.42) | TSHRALDH1A1CA4 | |
| Benzene SCHEMBL932156 | 0.82 | TSHR (0.60) | TSHRALDH1A1TP53LMNA | |
| Benzene SCHEMBL7268462 | 0.82 | TSHR (0.60) | TSHRALDH1A1TP53LMNA | |
| Benzene SCHEMBL8985498 | 0.82 | TSHR (0.60) | TSHRALDH1A1TP53LMNA | |
| Benzene SCHEMBL27579085 | 0.82 | TSHR (0.60) | TSHRALDH1A1TP53LMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6951858-B2 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2005-10-04 | — | — | US | disclosed |
| US-20050075339-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2005-04-07 | — | — | US | disclosed |
| US-20040266765-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. | 2004-12-30 | — | — | US | disclosed |
| US-6740656-B2 | GNRH RECEPTOR ANTAGONISTS ARE DISCLOSED WHICH HAVE UTILITY IN THE TREATMENT OF A VARIETY OF SEX-HORMONE RELATED CONDITIONS IN BOTH MEN AND WOMEN. THE COMPOUNDS OF THIS INVENTION HAVE THE STRUCTURE:PRODRUGS, STEREOISOMERS AND DRUGS | NEUROCRINE BIOSCIENCES, INC. | 2004-05-25 | — | — | US | disclosed |
| EP-1412363-A1 | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS | Neurocrine Biosciences, Inc. (US) | 2004-04-28 | — | — | EP | disclosed |
| US-6673796-B2 | SEXUAL DISORDERS | NEUROCRINE BIOSCIENCES, INC. | 2004-01-06 | — | — | US | disclosed |
| US-20030114455-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. | 2003-06-19 | — | — | US | disclosed |
| US-20030109535-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. | 2003-06-12 | — | — | US | disclosed |
| WO-2003011870-A1 | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2003-02-13 | — | — | 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 (4 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-20030114455-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | GNRHR, GHRHR, LHCGR | TSHR 93/4885ALDH1A1 2856/4885POLB 4769/4885 |
| US-20040266765-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | GNRHR, GHRHR, LHCGR | TSHR 92/4885ALDH1A1 2906/4885POLB 4785/4885 |
| US-20030109535-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | GNRHR, GHRHR, LHCGR | TSHR 92/4885ALDH1A1 2906/4885POLB 4785/4885 |
| US-20050075339-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | GNRHR, LHCGR, GHRHR | TSHR 67/4885ALDH1A1 3063/4885POLB 4245/4885 |
“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.