Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.64 |
| ▸ | LCK | P06239 | 1/20 | 0.64 |
| ▸ | FYN | P06241 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Benzene SCHEMBL3673826 | 0.95 | FFAR3 (0.70) | FFAR3LCKFYNLMNATSHR | |
| Benzene SCHEMBL10625833 | 0.95 | FFAR3 (0.70) | FFAR3LCKFYNLMNATSHR | |
| Benzene SCHEMBL9149417 | 0.95 | LMNA (0.60) | FFAR3LCKFYNLMNATSHR | |
| Benzene SCHEMBL11338580 | 0.91 | FFAR3 (0.64) | FFAR3LCKFYNLMNATSHR | |
| Benzene SCHEMBL11338578 | 0.91 | FFAR3 (0.64) | FFAR3LCKFYNLMNATSHR | |
| Benzene SCHEMBL1761127 | 0.91 | FFAR3 (0.78) | FFAR3LCKFYNLMNATSHR | |
| Benzene SCHEMBL11152373 | 0.91 | LMNA (0.67) | FFAR3LCKFYNLMNATSHR | |
| Benzene SCHEMBL11765690 | 0.91 | LMNA (0.67) | FFAR3LCKFYNLMNATSHR | |
| Benzene SCHEMBL10771333 | 0.91 | LMNA (0.67) | FFAR3LCKFYNLMNATSHR | |
| Benzene SCHEMBL11545210 | 0.91 | LMNA (0.67) | FFAR3LCKFYNLMNATSHR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1265930-A4 | CYCLODEXTRIN DIMERS WITH SPACERS HAVING PEPTIDE STRUCTURES FOR ENCAPSULATION OF PHARMACEUTICALLY ACTIVE SUBSTANCES WITH POTENTIAL HIGH SIDE-EFFECTS | CERAMOPTEC GMBH (DE) | 2005-12-21 | — | — | EP | disclosed |
| US-6602988-B2 | Preselected enzyme cleavage points are stable in blood but are cleavable within cells; use in drug delivery such as of antitumor agents | CERAMOPTEC INDUSTRIES, INC. | 2003-08-05 | — | — | US | disclosed |
| EP-1265930-A1 | CYCLODEXTRIN DIMERS WITH SPACERS HAVING PEPTIDE STRUCTURES FOR ENCAPSULATION OF PHARMACEUTICALLY ACTIVE SUBSTANCES WITH POTENTIAL HIGH SIDE-EFFECTS | CeramOptec GmbH (DE) | 2002-12-18 | — | — | EP | disclosed |
| US-20020094950-A1 | Cyclodextrin dimers with spacers having peptide structures for encapsulation of pharmaceutically active substances with potential high side-effects | BIOLITEC PHARMA MARKETING LTD. (MY) | 2002-07-18 | — | — | US | disclosed |
| WO-2001051524-A1 | CYCLODEXTRIN DIMERS WITH SPACERS HAVING PEPTIDE STRUCTURES FOR ENCAPSULATION OF PHARMACEUTICALLY ACTIVE SUBSTANCES WITH POTENTIAL HIGH SIDE-EFFECTS | CERAMOPTEC INDUSTRIES, INC. (US) | 2001-07-19 | — | — | WO | disclosed |
| EP-0207437-B1 | NEW CARNITINE SALTS PARTICULARLY SUITABLE FOR ORAL USE | BIORESEARCH S.p.A. (IT) | 1988-08-24 | — | — | EP | disclosed |
| US-4673534-A | ALKYLSULFONATE SALTS, USEFUL IN TREATMENT OF MYOPATHY | BIORESEARCH SPA (IT) | 1987-06-16 | — | — | US | disclosed |
| EP-0207437-A1 | New Carnitine salts particularly suitable for oral use | BIORESEARCH S.p.A. (IT) | 1987-01-07 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020094950-A1 | Cyclodextrin dimers with spacers having peptide structures for encapsulation of pharmaceutically active substances with potential high side-effects | BTD, CD44, CD22 | FFAR3 4116/4885LCK 3136/4885FYN 2480/4885 |
“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.