Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 1,4-Dichlorobenzene. 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 | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | CES2 | O00748 | 3/20 | 0.55 |
| ▸ | CES1 | P23141 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.52 |
| ▸ | BRD4 | O60885 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Parachlorophenol SCHEMBL3273837 | 0.89 | MAPK1 (0.62) | ALOX15TSHRCES2CES1SRD5A2 | |
| Chlorobenzene SCHEMBL4166598 | 0.88 | TSHR (0.65) | ALOX15TSHRCES2CES1LMNA | |
| Acetic Acid SCHEMBL28400035 | 0.87 | ALOX15 (0.48) | ALOX15TSHRCES2CES1LMNA | |
| 4-Chloroaniline SCHEMBL7836943 | 0.87 | MEN1 (0.52) | ALOX15TSHRCES2CES1LMNA | |
| 4-Chloro-Benzoic Acid SCHEMBL6444124 | 0.87 | TSHR (0.85) | ALOX15TSHRCES2CES1SRD5A2 | |
| Acetic Acid SCHEMBL28930218 | 0.87 | ALOX15 (0.48) | ALOX15TSHRCES2CES1LMNA | |
| Acetic Acid SCHEMBL7439099 | 0.87 | ALDH1A1 (0.50) | ALOX15TSHRCES2CES1LMNA | |
| 1,4-Dichlorobenzene SCHEMBL28270431 | 0.86 | TSHR (0.67) | ALOX15TSHRCES2CES1LMNA | |
| 1,4-Dichlorobenzene SCHEMBL28270432 | 0.86 | TSHR (0.67) | ALOX15TSHRCES2CES1LMNA | |
| Chlorobenzene SCHEMBL27974158 | 0.85 | TSHR (0.61) | ALOX15TSHRCES2CES1LMNA |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105566219-B | The manufacturing method and its manufacture intermediate of 3,4- dihydroisoquinoline derivatives | 三井化学AGRO株式会社 | 2019-03-01 | — | — | CN | disclosed |
| CN-105439951-B | The manufacturing method of the manufacture intermediate of 3,4- dihydroisoquinoline derivatives | 三井化学AGRO株式会社 | 2018-07-06 | — | — | CN | disclosed |
| CN-107759460-A | A kind of method for preparing the more acid monomers of polyphenyls | 朱翠英 | 2018-03-06 | — | — | CN | disclosed |
| EP-1919857-B1 | PROCESS FOR THE SYNTHESIS OF MANDIPROPAMID AND DERIVATIVES THEREOF | SYNGENTA PARTICIPATIONS AG (CH) | 2016-03-09 | — | — | EP | disclosed |
| CN-102459187-B | Janus Kinase Inhibiting Compounds and Methods | HOFFMANN LA ROCHE | 2015-06-17 | — | — | CN | disclosed |
| CN-104591973-A | Preparation method of 2,5-dichlorophenol | ANHUI SEALONG BIOTECHNOLOGY CO LTD | 2015-05-06 | — | — | CN | disclosed |
| CN-104592022-A | Method for preparing 2, 5-dichlorobenzene acetate | ANHUI SEALONG BIOTECHNOLOGY CO LTD | 2015-05-06 | — | — | CN | disclosed |
| CN-104592022-A | Method for preparing 2, 5-dichlorobenzene acetate | ANHUI SEALONG BIOTECHNOLOGY CO LTD | 2015-05-06 | — | — | CN | disclosed |
| CN-102459187-A | Janus Kinase Inhibiting Compounds and Methods | HOFFMANN LA ROCHE | 2012-05-16 | — | — | CN | disclosed |
| US-8129560-B2 | Process for the synthesis of mandipropamid and derivatives thereof | SYNGENTA CROP PROTECTION, INC. (US) | 2012-03-06 | — | — | US | disclosed |
| US-20090118532-A1 | Process for the Synthesis of Mandipropamid and Derivatives Thereof | SYNGENTA CROP PROTECTION, INC. (US) | 2009-05-07 | — | — | US | disclosed |
| EP-1919857-A2 | PROCESS FOR THE SYNTHESIS OF MANDIPROPAMID AND DERIVATIVES THEREOF | Syngeta Participations AG (CH) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007020381-A2 | PROCESS FOR THE SYNTHESIS OF MANDIPROPAMID AND DERIVATIVES THEREOF | SYNGENTA PARTICIPATIONS AG (CH) | 2007-02-22 | — | — | 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 (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-20090118532-A1 | Process for the Synthesis of Mandipropamid and Derivatives Thereof | OPRM1, OPRD1, ADRA1D | ALOX15 993/4885TSHR 272/4885CES2 329/4885 |
“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.