SCHEMBL477417

SCHEMBL477417

OCc1ccccc1C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
NAAA Q02083 1/20 0.45
EPHX1 P07099 1/20 0.43
PTGS2 P35354 1/20 0.41
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
APOBEC3G Q9HC16 1/20 0.38
NUDT1 P36639 1/20 0.37
BACE1 P56817 1/20 0.37
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP2C9 P11712 1/20 0.35
DRD1 P21728 1/20 0.35

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 0.98 PTGDR2 (0.44) PTGDR2NAAAEPHX1PTGS2SLC6A2
SCHEMBL477701 0.90 SLC6A4 (0.42) PTGDR2NAAAEPHX1SLC6A2SLC6A4
SCHEMBL9203359 0.85 PTGDR2 (0.44) PTGDR2NAAAEPHX1PTGS2SLC6A2
SCHEMBL17417173 0.83 PTGDR2 (0.40) PTGDR2NAAAEPHX1PTGS2NUDT1
SCHEMBL7496193 0.82 PTGDR2 (0.41) PTGDR2NAAAPTGS2SLC6A2SLC6A4
SCHEMBL9626982 0.82 OPRL1 (0.44) PTGDR2NAAAEPHX1PTGS2NUDT1
SCHEMBL29805150 0.81 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12835831 0.81 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL677543 0.80 PTGDR2 (0.42) PTGDR2NAAAPTGS2SLC6A2SLC6A4
SCHEMBL11265348 0.80 PTGDR2 (0.42) PTGDR2NAAAPTGS2SLC6A2SLC6A4

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-109548405-B Electrodepositable coating compositions with improved crater control PPG工业俄亥俄公司 2021-11-16 CN disclosed
CN-109526225-B Electrodepositable coating compositions with improved crater control PPG工业俄亥俄公司 2021-11-09 CN disclosed
US-9828338-B2 Carbamate derivatives of lactam based N-acylethanolamine acid amidase (NAAA) inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-28 US disclosed
US-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-10 US disclosed
EP-2970201-A1 6-[4-(1 H-IMIDAZOL-2-YL)PIPERIDIN-1 -YL]PYRIMIDIN-4-AMINE DERIVATIVES AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2016-01-20 EP disclosed
WO-2014144836-A2 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-18 WO disclosed
WO-2014143612-A1 6-[4-(1 H-IMIDAZOL-2-YL)PIPERIDIN-1 -YL]PYRIMIDIN-4-AMINE DERIVATIVES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2014-09-18 WO 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
EP-2412694-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL Mitsui Chemicals, Inc. (JP) 2012-02-01 EP disclosed
EP-0728018-B1 New enzymes and prodrugs for ADEPT WELLCOME FOUND (GB) 2003-08-06 EP disclosed
US-6319702-B1 NUCLEOTIDE SEQUENCS CODING AN ENZYMATIC POLYPEPTIDE AND CELL TARGETING COMPOUND; FOR USE IN TREATMENT OF CANCER GLAXO WELLCOME, INC. 2001-11-20 US disclosed
US-6140100-A CONJUGATE POLYPEPTIDE WHICH IS TISSUE PREFERENTIAL; ANTICARCINOGENIC AGENTS GLAXO WELLCOME INC. (US) 2000-10-31 US disclosed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
EP-0728018-A1 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013095-A2 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-18 WO disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP 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 (2 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-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS NAAA, FAAH, FAAH2 PTGDR2 1270/4885NAAA 1/4885EPHX1 222/4885
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, FHIT PTGDR2 1786/4885NAAA 2013/4885EPHX1 1631/4885

“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.