SCHEMBL10064029

SCHEMBL10064029

COc1cc(C)cc(CO)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.61
PDE4A P27815 4/20 0.48
PDE4B Q07343 4/20 0.48
PDE4C Q08493 4/20 0.48
PDE4D Q08499 4/20 0.48
MAPT P10636 2/20 0.46
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
CYP3A4 P08684 1/20 0.43
PDE5A O76074 3/20 0.42
PDE1A P54750 3/20 0.42
PDE1B Q01064 3/20 0.42
PDE3B Q13370 3/20 0.42
PDE1C Q14123 3/20 0.42
PDE3A Q14432 3/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP1A2 P05177 1/20 0.41
GFER P55789 1/20 0.40

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
SCHEMBL20109779 0.89 ACHE (0.53) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL3302064 0.87 MAPT (0.52) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL20362610 0.82 MAPT (0.47) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL10882757 0.82 MAPT (0.47) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL13067787 0.82 ACHE (0.64) ACHEMAPTCYP3A4KMT2AMEN1
SCHEMBL14462083 0.81 ACHE (0.44) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL18124422 0.80 ACHE (0.43) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL13096060 0.80 ACHE (0.61) ACHEMAPTCYP3A4KMT2AMEN1
SCHEMBL643649 0.80 CYP1A2 (0.62) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL2621002 0.80 ERN1 (0.50) ACHEPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180221303-A1 PERITONEAL THERAPEUTIC FLUID OPTERION HEALTH AG (CH) 2018-08-09 US disclosed
US-20180214387-A1 AQUEOUS SOLUTION COMPRISING A POLYPHENOL OPTERION HEALTH AG (CH) 2018-08-02 US disclosed
US-9139574-B2 Tumor targeted drug combretastatin A4 derivative NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2015-09-22 US disclosed
US-20140128384-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2014-05-08 US disclosed
US-20130310332-A1 MAPLE TREE-DERIVED PRODUCTS AND USES THEREOF UNIVERSITY OF RHODE ISLAND (US) 2013-11-21 US disclosed
US-20120046492-A1 Ethoxy Diphenyl Ethane Derivatives, Preparation Processes and Uses Thereof Zhejiang Wild Wind Pharmaceutical Co., Ltd. (CN) 2012-02-23 US disclosed
US-7902330-B2 Protein kinase inhibitors and methods for identifying same ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-03-08 US disclosed
US-7892701-B2 Fuel cell KABUSHIKI KAISHA TOSHIBA (JP) 2011-02-22 US disclosed
US-20100216055-A1 FUEL CELL ARIMURA TOMOAKI 2010-08-26 US disclosed
US-20100055524-A1 FUEL CELL KABUSHIKI KAISHA TOSHIBA (JP) 2010-03-04 US disclosed
WO-2007134828-A1 PYRAZOLO [3, 4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2007-11-29 WO disclosed
US-20070254312-A1 Protein Kinase Inhibitors and Methods for Identiying Same NATIONAL INSTITUTES OF HEALTH 2007-11-01 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 (6 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-20070254312-A1 Protein Kinase Inhibitors and Methods for Identiying Same PRKCA, PRKCE, PRKCB ACHE 3098/4885PDE4A 501/4885PDE4B 618/4885
US-20180214387-A1 AQUEOUS SOLUTION COMPRISING A POLYPHENOL SORD, AQP1, SI ACHE 1824/4885PDE4A 4292/4885PDE4B 4111/4885
US-20140128384-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE TUBA4A, TUBGCP4, TUBB4A ACHE 4449/4885PDE4A 262/4885PDE4B 228/4885
US-20180221303-A1 PERITONEAL THERAPEUTIC FLUID FABP6, ALB, FABP2 ACHE 2132/4885PDE4A 3046/4885PDE4B 3067/4885
US-20120046492-A1 Ethoxy Diphenyl Ethane Derivatives, Preparation Processes and Uses Thereof TUBB1, TUBB, TUBB3 ACHE 3380/4885PDE4A 3810/4885PDE4B 3849/4885
US-20130310332-A1 MAPLE TREE-DERIVED PRODUCTS AND USES THEREOF FASN, NNT, MAPK7 ACHE 449/4885PDE4A 3645/4885PDE4B 3048/4885

“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.