SCHEMBL104467

SCHEMBL104467

CC(C)Cc1ccc2c(c1)OCO2

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.74
SLC6A4 P31645 3/20 0.74
SLC6A2 P23975 2/20 0.74
SLC6A3 Q01959 2/20 0.74
CYP2D6 P10635 2/20 0.70
CYP3A4 P08684 2/20 0.64
NPSR1 Q6W5P4 1/20 0.62
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
ATM Q13315 1/20 0.56
POLB P06746 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL5018909 0.89 TAAR1 (0.59) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
Machilin A SCHEMBL10343221 0.89 TAAR1 (0.74) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
Machilin A SCHEMBL31237868 0.89 TAAR1 (0.74) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
Machilin A SCHEMBL30678762 0.89 TAAR1 (0.74) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL23046948 0.86 TAAR1 (0.66) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
Tenamfetamine SCHEMBL9361151 0.85 TAAR1 (1.00) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL18462066 0.85 TAAR1 (0.70) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL21791708 0.85 TAAR1 (0.70) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL12775573 0.85 TAAR1 (0.56) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL25075019 0.85 TAAR1 (0.70) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6

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 304 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103562169-A Purification process for para-methallylpyrocatechol FMC CORP 2014-02-05 CN claimed
EP-2563508-A2 DELIVERY PARTICLE The Procter & Gamble Company (US) 2013-03-06 EP claimed
WO-2010079468-A2 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2010-07-15 WO claimed
CN-122028974-A Ribonucleic acid-based microcapsules 弗门尼舍有限公司 2026-05-12 CN disclosed
CN-120136648-A Direct reduction method of alkyl alcohol or aldehyde ketone substrate 浙江理工大学嵊州创新研究院有限公司 2025-06-13 CN disclosed
CN-120115098-A Method for producing polyamide microcapsules 弗门尼舍有限公司 2025-06-10 CN disclosed
CN-120091807-A Lipid-based microcapsules 弗门尼舍有限公司 2025-06-03 CN disclosed
CN-120076721-A Wax-based microcapsules 弗门尼舍有限公司 2025-05-30 CN disclosed
CN-119923291-A Mixed microcapsules 弗门尼舍有限公司 2025-05-02 CN disclosed
CN-119562853-A Composite microcapsule 弗门尼舍有限公司 2025-03-04 CN disclosed
CN-119173334-A Polyamide microcapsule 弗门尼舍有限公司 2024-12-20 CN disclosed
WO-2007002172-A2 HIV-1 PROTEASE INHIBITORS UNIVERSITY OF MASSACHUSETTS (US) 2007-01-04 WO disclosed
US-20070004729-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. 2007-01-04 US disclosed
WO-2007002173-A1 HIV-1 PROTEASE INHIBITORS, AND METHODS OF MAKING AND USING THEM UNIVERSITY OF MASSACHUSETTS (US) 2007-01-04 WO disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed
WO-2005068437-A1 2, 4 - DIAMINOPYRIMIDINES AND THEIR USE FOR INDUCING CARDIOMYOGENESIS NOVARTIS AG (CH) 2005-07-28 WO disclosed
EP-1392679-A1 NOVEL 1-AMIDOMETHYLCARBONYL-PIPERIDINE DERIVATIVES, METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF AND MEDICAMENT CONTAINING SAID COMPOUNDS Solvay Pharmaceuticals GmbH (DE) 2004-03-03 EP disclosed
WO-2002092592-A1 NOVEL 1-AMIDOMETHYLCARBONYL-PIPERIDINE DERIVATIVES, METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF AND MEDICAMENT CONTAINING SAID COMPOUNDS SOLVAY PHARMACEUTICALS GMBH (DE) 2002-11-21 WO disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070004729-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS TAAR1 2382/4885SLC6A4 4750/4885SLC6A2 4796/4885

“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.