Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Nonanol. 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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.72 |
| ▸ | LMNA | P02545 | 2/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.72 |
| ▸ | MEN1 | O00255 | 2/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
| ▸ | GPR84 | Q9NQS5 | 8/20 | 0.52 |
| ▸ | PPARG | P37231 | 7/20 | 0.52 |
| ▸ | PPARD | Q03181 | 7/20 | 0.52 |
| ▸ | PPARA | Q07869 | 7/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.52 |
| ▸ | TLR2 | O60603 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | FABP4 | P15090 | 2/20 | 0.52 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.52 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Decanol SCHEMBL9576533 | 1.00 | TSHR (0.72) | TSHRALDH1A1LMNAHSD17B10MEN1 | |
| Myristyl Alcohol SCHEMBL9576538 | 1.00 | TSHR (0.72) | TSHRALDH1A1LMNAHSD17B10MEN1 | |
| Cetostearyl Alcohol SCHEMBL9576504 | 1.00 | TSHR (0.72) | TSHRALDH1A1LMNAHSD17B10MEN1 | |
| Undecanol SCHEMBL8054523 | 1.00 | TSHR (0.72) | TSHRALDH1A1LMNAHSD17B10MEN1 | |
| 1-Heptanol SCHEMBL25423573 | 1.00 | TSHR (0.72) | TSHRALDH1A1LMNAHSD17B10MEN1 | |
| Acetic Acid SCHEMBL9650071 | 1.00 | TSHR (0.72) | TSHRALDH1A1LMNAHSD17B10MEN1 | |
| 1-Heptanol SCHEMBL25433349 | 1.00 | TSHR (0.72) | TSHRALDH1A1LMNAHSD17B10MEN1 | |
| Decanol SCHEMBL20774537 | 1.00 | TSHR (0.72) | TSHRALDH1A1LMNAHSD17B10MEN1 | |
| Tridecan-1-Ol SCHEMBL20774540 | 1.00 | TSHR (0.72) | TSHRALDH1A1LMNAHSD17B10MEN1 | |
| Cetyl Alcohol SCHEMBL9252747 | 1.00 | TSHR (0.72) | TSHRALDH1A1LMNAHSD17B10MEN1 |
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-6844302-B1 | Encapsulated flavor and fragrance | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2005-01-18 | — | — | US | claimed |
| WO-2023171067-A1 | CURABLE COMPOSITION, CURED PRODUCT, LAMINATE, AND PRODUCTION METHODS THEREOF | 三菱ケミカル株式会社 | 2023-09-14 | — | — | WO | disclosed |
| WO-2023153067-A1 | CURABLE COMPOSITION, CURED PRODUCT, LAMINATE, AND METHODS FOR PRODUCING THESE | 三菱ケミカル株式会社 | 2023-08-17 | — | — | WO | disclosed |
| US-8394786-B2 | Quinazoline derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 2013-03-12 | — | — | US | disclosed |
| US-20100105668-A1 | Quinazoline derivatives | FREYNE EDDY JEAN EDGARD | 2010-04-29 | — | — | US | disclosed |
| US-7648975-B2 | Macrocyclic quinazoline derivatives as antiproliferative agents | JANSSEN PHARMACEUTICA N.V. (BE) | 2010-01-19 | — | — | US | disclosed |
| EP-1633365-A1 | MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-03-15 | — | — | EP | disclosed |
| US-6844302-B1 | Encapsulated flavor and fragrance | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2005-01-18 | — | — | US | disclosed |
| WO-2004105765-A1 | MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-12-09 | — | — | 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-20100105668-A1 | Quinazoline derivatives | NR1H2, NR1H3, NR3C2 | ESR1 100/4885TSHR 433/4885ALDH1A1 2784/4885 |
“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.