SCHEMBL4620835

SCHEMBL4620835

C[C@@H]1O[C@@H]1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
EPHX1 P07099 5/20 0.42
CYP2C19 P33261 2/20 0.42
HTR1A P08908 1/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM2 P08172 4/20 0.38
CHRM4 P08173 4/20 0.38
CHRM5 P08912 4/20 0.38
CHRM1 P11229 4/20 0.38
CHRM3 P20309 4/20 0.38

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
SCHEMBL51824 1.00 SLC6A2 (0.43) SLC6A2ADRA1AHTR2BSLC6A3EPHX1
SCHEMBL2700400 1.00 SLC6A2 (0.43) SLC6A2ADRA1AHTR2BSLC6A3EPHX1
SCHEMBL4620826 1.00 SLC6A2 (0.43) SLC6A2ADRA1AHTR2BSLC6A3EPHX1
SCHEMBL5560221 1.00 SLC6A2 (0.43) SLC6A2ADRA1AHTR2BSLC6A3EPHX1
SCHEMBL3589695 1.00 SLC6A2 (0.43) SLC6A2ADRA1AHTR2BSLC6A3EPHX1
SCHEMBL6272191 1.00 SLC6A2 (0.43) SLC6A2ADRA1AHTR2BSLC6A3EPHX1
SCHEMBL5273177 1.00 SLC6A2 (0.43) SLC6A2ADRA1AHTR2BSLC6A3EPHX1
Methyl Alcohol SCHEMBL8766906 0.95 EPHX1 (0.43) SLC6A2ADRA1AHTR2BSLC6A3EPHX1
SCHEMBL9147278 0.88 CYP2C19 (0.48) SLC6A2ADRA1AHTR2BSLC6A3EPHX1
SCHEMBL4158886 0.88 PTAFR (0.37) SLC6A2ADRA1AHTR2BSLC6A3EPHX1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111217769-B Method for synthesizing epoxy compound by catalyzing olefin epoxy by using nano alumina 华南理工大学 2023-04-21 CN claimed
CN-111217769-B Method for synthesizing epoxy compound by catalyzing olefin epoxy by using nano alumina 华南理工大学 2023-04-21 CN disclosed
WO-2021108683-A1 COVALENT RAS INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2021-06-03 WO disclosed
CN-111217769-A Method for synthesizing epoxy compound by catalyzing olefin epoxidation through nano aluminum oxide 华南理工大学 2020-06-02 CN disclosed
EP-1849778-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE EPOXY COMPOUND, COMPLEX FOR USE IN THE PROCESS, AND PROCESS FOR PRODUCING THE SAME JAPAN SCIENCE & TECH AGENCY (JP) 2013-04-24 EP disclosed
US-8410295-B2 Method for production of optically active epoxy compound, and complex used therefor and process for producing the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-04-02 US disclosed
US-8410295-B2 Method for production of optically active epoxy compound, and complex used therefor and process for producing the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-04-02 US disclosed
US-20120178954-A1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND, AND COMPLEX USED THEREFOR AND PROCESS FOR PRODUCING THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-07-12 US disclosed
US-20120178954-A1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND, AND COMPLEX USED THEREFOR AND PROCESS FOR PRODUCING THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-07-12 US disclosed
US-8163941-B2 Reacting an unsaturated compound with oxidier in presence of a oxidation catalyst JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-04-24 US disclosed
US-8163941-B2 Reacting an unsaturated compound with oxidier in presence of a oxidation catalyst JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-04-24 US disclosed
EP-1683791-B1 Process for the epoxidation of olefins with hydrogen peroxide by ruthenium complex catalysed reaction SALTIGO GMBH (DE) 2008-04-02 EP disclosed
US-20080071099-A1 Method for Production of Optically Active Epoxy Compound, and Complex Used Therefor and Process for Producing the Same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-03-20 US disclosed
US-20080071099-A1 Method for Production of Optically Active Epoxy Compound, and Complex Used Therefor and Process for Producing the Same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-03-20 US disclosed
EP-1849778-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE EPOXY COMPOUND, COMPLEX FOR USE IN THE PROCESS, AND PROCESS FOR PRODUCING THE SAME Japan Science and Technology Agency (JP) 2007-10-31 EP disclosed
CN-1817871-A Process for the ruthenium-catalyzed epoxidation of olefins with the aid of hydrogen peroxide LANXESS DEUTSCHLAND GMBH (DE) 2006-08-16 CN disclosed
EP-1683791-A1 Process for the epoxidation of olefins with hydrogen peroxide by ruthenium complex catalysed reaction Lanxess Deutschland GmbH (DE) 2006-07-26 EP disclosed
US-20060161011-A1 Process for the ruthenium-catalysed epoxidation of olefins by means of hydrogen peroxide LANXESS DEUTSCHLAND GMBH (DE) 2006-07-20 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 (3 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-20080071099-A1 Method for Production of Optically Active Epoxy Compound, and Complex Used Therefor and Process for Producing the Same EPRS1, PPOX, POR SLC6A2 4731/4885ADRA1A 2871/4885HTR2B 3650/4885
US-20060161011-A1 Process for the ruthenium-catalysed epoxidation of olefins by means of hydrogen peroxide PPOX, HAO2, GPX4 SLC6A2 3841/4885ADRA1A 2158/4885HTR2B 2013/4885
US-20120178954-A1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND, AND COMPLEX USED THEREFOR AND PROCESS FOR PRODUCING THE SAME CYP4F11, CYP51A1, COASY SLC6A2 4821/4885ADRA1A 3448/4885HTR2B 3691/4885

“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.