Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Isopropylbenzene. 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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | GMNN | O75496 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | SRC | P12931 | 2/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.50 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | FABP3 | P05413 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Isopropylbenzene SCHEMBL27353084 | 1.00 | ALDH1A1 (0.57) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| Isopropylbenzene SCHEMBL2013493 | 0.98 | ALDH1A1 (0.55) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| Isopropylbenzene SCHEMBL719550 | 0.98 | ALDH1A1 (0.55) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| Isopropylbenzene SCHEMBL8330328 | 0.98 | ALDH1A1 (0.55) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| Isopropylbenzene SCHEMBL8330332 | 0.98 | ALDH1A1 (0.55) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| Isopropylbenzene SCHEMBL8555471 | 0.93 | ALDH1A1 (0.52) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| Isopropylbenzene SCHEMBL27513961 | 0.93 | ALDH1A1 (0.55) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| Isopropylbenzene SCHEMBL27343723 | 0.91 | ALDH1A1 (0.48) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| Isopropylbenzene SCHEMBL20448550 | 0.91 | SRC (0.52) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| Isopropylbenzene SCHEMBL9047739 | 0.91 | ALDH1A1 (0.48) | ALDH1A1KDM4ELMNAMAPTKMT2A |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0731687-B1 | HAIR CLEANING AND/OR CARE AGENT AND PROCESS FOR PRODUCING IT | PETRITSCH ERICH (AT) | 2001-03-07 | — | — | EP | claimed |
| US-5824629-A | CONTAINING SURFACTANT, SOLID ACID AND SALT WHICH REACT TO RELEASE GAS IN WATER | PETRITSCH ERICH (AT) | 1998-10-20 | — | — | US | claimed |
| EP-2152842-B1 | CLEANING OF POLYCARBONATE | ECOLAB INC (US) | 2017-10-11 | — | — | EP | disclosed |
| EP-3078733-A1 | RINSING OF POLYCARBONATE | ECOLAB INC. (US) | 2016-10-12 | — | — | EP | disclosed |
| US-9217124-B2 | Washing or cleaning agent comprising a hydrogel former | HENKEL AG & CO. KGAA (DE) | 2015-12-22 | — | — | US | disclosed |
| US-9034473-B2 | Method for passivating a metallic surface with a basic composition | BASF SE (DE) | 2015-05-19 | — | — | US | disclosed |
| US-8986467-B2 | Method for passivating metallic surfaces with aqueous compositions comprising surfactants | BASF SE (DE) | 2015-03-24 | — | — | US | disclosed |
| US-8901064-B2 | Microcapsule containing detergent or cleaning agent | HENKEL AG & CO. KGAA (DE) | 2014-12-02 | — | — | US | disclosed |
| US-20140303063-A1 | WASHING OR CLEANING AGENT COMPRISING A HYDROGEL FORMER | HENKEL AG & CO. KGAA (DE) | 2014-10-09 | — | — | US | disclosed |
| US-20130203642-A1 | MICROCAPSULE CONTAINING DETERGENT OR CLEANING AGENT | HENKEL AG & CO. KGAA (DE) | 2013-08-08 | — | — | US | disclosed |
| US-20120080121-A1 | METHOD FOR PASSIVATING METALLIC SURFACES WITH AQUEOUS COMPOSITIONS COMPRISING SURFACTANTS | BASF SE (DE) | 2012-04-05 | — | — | US | disclosed |
| US-H1468-H | Containing perfume selected from ketones, aldehydes, lactones, ethers, esters, alcohols, condensation products of aldehydes and amines | PROCTER & GAMBLE COMPANY, THE | 1995-08-01 | — | — | US | disclosed |
| CN-1027078-C | Ion-pair complex conditioning agent and compositions containing same | PROCTER & GAMBLE (US) | 1994-12-21 | — | — | CN | disclosed |
| EP-0601792-A1 | Lavatory cleansing compositions | JEYES GROUP plc (GB) | 1994-06-15 | — | — | EP | disclosed |
| EP-0489777-B1 | ANTI-FOAMING AGENTS STABLE IN ALKALI | HENKEL KGAA (DE) | 1994-04-27 | — | — | EP | disclosed |
| EP-0489777-A1 | ANTI-FOAMING AGENTS STABLE IN ALKALI. | HENKEL KGAA (DE) | 1992-06-17 | — | — | EP | disclosed |
| WO-1991003538-A1 | ANTI-FOAMING AGENTS STABLE IN ALKALI | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1991-03-21 | — | — | WO | disclosed |
| CN-87105965-A | Ion pair complex modulators and compositions thereof | — | 1988-07-06 | — | — | CN | disclosed |
| US-4249003-A | Process for polycyclic amines | AKTIEBOLAGET LEO (SE) | 1981-02-03 | — | — | US | disclosed |
| US-4249002-A | Polycyclic amines and intermediates therefor | AKTIEBOLAGET LEO (SE) | 1981-02-03 | — | — | US | 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-20140303063-A1 | WASHING OR CLEANING AGENT COMPRISING A HYDROGEL FORMER | GPKOW, CD44, CUTA | ADRA2A 1168/4885ADRA2C 1157/4885ALDH1A1 200/4885 |
“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.