SCHEMBL3786044

SCHEMBL3786044

Cc1c(Cc2ccccc2)c(=O)oc2cc(O)cc(O)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
ALDH1A1 P00352 5/20 1.00
MAPT P10636 3/20 1.00
GAA P10253 3/20 0.67
HSD17B3 P37058 2/20 0.67
GLA P06280 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
ERAP1 Q9NZ08 1/20 0.67
PTGDR2 Q9Y5Y4 1/20 0.60
HPGD P15428 4/20 0.58
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
HSD17B10 Q99714 2/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
POLB P06746 2/20 0.56
JAK2 O60674 1/20 0.56
PKM P14618 1/20 0.56
MAPK1 P28482 1/20 0.56
MPI P34949 1/20 0.56

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
SCHEMBL5327916 0.90 KDM4E (0.81) KDM4EALDH1A1MAPTGAAHSD17B3
SCHEMBL5328894 0.90 KDM4E (0.81) KDM4EALDH1A1MAPTGAAHSD17B3
SCHEMBL6584895 0.88 KDM4E (0.79) KDM4EALDH1A1MAPTGAAHSD17B3
SCHEMBL6583766 0.87 KDM4E (0.77) KDM4EALDH1A1MAPTGAAHSD17B3
SCHEMBL14315163 0.87 KDM4E (0.77) KDM4EALDH1A1MAPTGAAHSD17B3
SCHEMBL14317879 0.87 KDM4E (0.76) KDM4EALDH1A1MAPTGAAHSD17B3
SCHEMBL6584683 0.83 KDM4E (0.71) KDM4EALDH1A1MAPTGAAHSD17B3
SCHEMBL14317199 0.83 KDM4E (0.70) KDM4EALDH1A1MAPTGAAHSD17B3
SCHEMBL14246747 0.82 KDM4E (0.70) KDM4EALDH1A1MAPTGAAHSD17B3
SCHEMBL15931673 0.82 KDM4E (0.69) KDM4EALDH1A1MAPTGAAHSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334256-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2016-05-10 US disclosed
CN-101896492-B Tetriacyclodipyranyl coumarins and the anti-HIV and anti-tuberculosis uses thereof INST OF MATARIA MEDICA CHINESE 2015-05-06 CN disclosed
US-20140221423-A1 Agents And Methods For Treating Ischemic And Other Diseases NONO INC. (CA) 2014-08-07 US disclosed
US-20140221423-A1 Agents And Methods For Treating Ischemic And Other Diseases NONO INC. (CA) 2014-08-07 US disclosed
EP-2216335-B1 TETRACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF INST MATERIA MEDICA CAMS (CN) 2014-03-12 EP disclosed
EP-2216335-B1 TETRACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF INST MATERIA MEDICA CAMS (CN) 2014-03-12 EP disclosed
CN-101100470-B Tetracyclic bispyranyl coumarin compounds INST MATERIA MEDICA CAMS 2013-02-13 CN disclosed
WO-2012174488-A2 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO, INC. (CA) 2012-12-20 WO disclosed
US-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-23 US disclosed
US-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-23 US disclosed
CN-1143857-C Bisethers of 1-oxa, aza and thianaphthalen-2-ones as phospholamban inhibitors ���ŷ� 2004-03-31 CN disclosed
US-6538022-B1 Three-dimensional structure of the cytosolic domain of phospholamban (PLB) and its active site from NMR data of sufficiently high resolution for the three-dimensional structure determination. rational drug design enabling the ORION CORPORATION (FI) 2003-03-25 US disclosed
EP-1039884-B1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORP (FI) 2002-09-18 EP disclosed
US-6265421-B1 DILATATION OF ARTERIES ORION CORPORATION (FI) 2001-07-24 US disclosed
CN-1271357-A bisethers of 1-oxa, aza and thianaphthalen-2-ones as phospholamban inhibitors ORION CORP (FI) 2000-10-25 CN disclosed
EP-1039884-A1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORPORATION (FI) 2000-10-04 EP disclosed
EP-1001774-A1 USE OF PHOSPHOLAMBAN INHIBITORS TO INCREASING CORONARY FLOW ORION CORPORATION (FI) 2000-05-24 EP disclosed
US-5968959-A ADMINISTERING PHOSPHOLAMBAN INHIBITOR ORION CORPORATION (FI) 1999-10-19 US disclosed
WO-1999030696-A1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORPORATION (FI) 1999-06-24 WO disclosed
WO-1999000132-A1 USE OF PHOSPHOLAMBAN INHIBITORS FOR INCREASING CORONARY FLOW ORION CORPORATION (FI) 1999-01-07 WO 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-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES TBCB, TBC1D15, TBC1D5 KDM4E 3237/4885ALDH1A1 482/4885MAPT 1245/4885
US-20140221423-A1 Agents And Methods For Treating Ischemic And Other Diseases TRPM7, TRPM8, TRPM5 KDM4E 4656/4885ALDH1A1 1722/4885MAPT 1802/4885

“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.