SCHEMBL477701

SCHEMBL477701

OCc1ccccc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.42
SLC6A2 P23975 5/20 0.42
SLC6A3 Q01959 4/20 0.42
APOBEC3G Q9HC16 1/20 0.41
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
CYP2A6 P11509 1/20 0.38
EPHX1 P07099 1/20 0.36
HTR1A P08908 2/20 0.36
NAAA Q02083 1/20 0.35
HTR2C P28335 2/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD2 P14416 1/20 0.34
PRKAA2 P54646 1/20 0.33

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
SCHEMBL7257808 0.91 PTGDR2 (0.44) SLC6A4SLC6A2SLC6A3APOBEC3GCYP2A6
SCHEMBL477417 0.90 PTGDR2 (0.46) SLC6A4SLC6A2SLC6A3APOBEC3GCYP2A6
SCHEMBL12835831 0.86 SLC6A2 (0.59) SLC6A4SLC6A2SLC6A3HTR1AHTR2C
SCHEMBL29805150 0.86 SLC6A2 (0.59) SLC6A4SLC6A2SLC6A3HTR1AHTR2C
Hydrochloric Acid SCHEMBL6075750 0.85 SLC6A2 (0.58) SLC6A4SLC6A2SLC6A3HTR1AHTR2C
SCHEMBL10297984 0.83 MEN1 (0.40) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL11989014 0.83 MEN1 (0.38) SLC6A4SLC6A2SLC6A3HTR1AMEN1
SCHEMBL5140978 0.83 DRD2 (0.44) SLC6A4MEN1KMT2ADRD2
SCHEMBL8452032 0.83 CYP2C9 (0.42) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL5383496 0.83 APOBEC3G (0.39) SLC6A4SLC6A2SLC6A3APOBEC3GCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004111092-A1 MODIFIED ALGINIC ACID OR ALGINIC ACID DERIVATIVES AND THERMOSETTING ANTI-REFLECTIVE COMPOSITIONS THEREOF AZ ELECTRONIC MATERIALS USA CORP. (US) 2004-12-23 WO claimed
JP-62205038-A None JP disclosed
WO-2023185811-A1 NOVEL HETEROCYCLIC COMPOUND 首药控股(北京)股份有限公司 2023-10-05 WO disclosed
CN-115448882-A Benzoheterocyclic compounds useful for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 CN disclosed
EP-3737684-B1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2022-11-16 EP disclosed
CN-109689667-B Porous chiral material and use thereof 南开大学 2022-07-12 CN disclosed
CN-110114351-A The heterocycle inhibitor of MCT4 维托尔股份有限公司 2019-08-09 CN disclosed
CN-105566197-A Synthesis method of tetrahydropyrrole derivatives UNIV NANJING FORESTRY 2016-05-11 CN disclosed
US-8563786-B2 Method for producing optically active alcohol MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-12 US disclosed
US-7169954-B2 Method for preparing ruthenium-carrying alumina and method for oxidizing alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-30 US disclosed
US-20060094899-A1 Process for preparing ruthenium-carrying alumina and process for oxidizing alcohol SUMITOMO CHEMICAL COMPANY, LIMITED 2006-05-04 US disclosed
US-6878838-B2 Chiral porous metal phosphonates for heterogeneous asymmetric catalysis THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-04-12 US disclosed
EP-1500432-A1 METHOD FOR PREPARING RUTHENIUM-CARRYING ALUMINA AND METHOD FOR OXIDIZING ALCOHOL Sumitomo Chemical Company, Limited (JP) 2005-01-26 EP disclosed
US-20040204597-A1 Method for preparing ruthenium-carrying alumina and method for oxidizing alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-10-14 US disclosed
WO-2004084834-A2 CHIRAL POROUS METAL PHOSPHONATES FOR HETEROGENEOUS ASYMMETRIC CATALYSIS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2004-10-07 WO disclosed
US-20040192543-A1 Chiral porous metal phosphonates for heterogeneous asymmetric catalysis NORTH CAROLINA AT CHAPEL HILL, UNIVERSITY OF, THE 2004-09-30 US disclosed
EP-0682663-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-22 EP disclosed
WO-1994018188-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS THE UPJOHN COMPANY (US) 1994-08-18 WO disclosed
JP-S62205038-A PRODUCTION OF 4-FLUORO-1-BUTENE DERIVATIVE RIKAGAKU KENKYUSHO 1987-09-09 JP 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 (4 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-20060094899-A1 Process for preparing ruthenium-carrying alumina and process for oxidizing alcohol ADH1A, ADH5, ADH7 SLC6A4 3464/4885SLC6A2 2586/4885SLC6A3 3657/4885
US-20040204597-A1 Method for preparing ruthenium-carrying alumina and method for oxidizing alcohol ADH1A, ADH7, ADH5 SLC6A4 3542/4885SLC6A2 2311/4885SLC6A3 3364/4885
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, FHIT SLC6A4 2886/4885SLC6A2 3969/4885SLC6A3 2874/4885
US-20040192543-A1 Chiral porous metal phosphonates for heterogeneous asymmetric catalysis ZKSCAN2, TPRKB, KHK SLC6A4 2623/4885SLC6A2 4614/4885SLC6A3 4491/4885

“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.