SCHEMBL6585928

SCHEMBL6585928

O=c1oc2cc(O)cc(O)c2c2c1CCCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HPGD P15428 5/20 0.58
HSD17B10 Q99714 5/20 0.58
GAA P10253 4/20 0.58
TSHR P16473 4/20 0.58
KDM4E B2RXH2 4/20 0.58
CASP1 P29466 3/20 0.58
CASP7 P55210 3/20 0.58
GLA P06280 2/20 0.58
CYP1A2 P05177 1/20 0.56
MAOA P21397 4/20 0.54
MGAM O43451 3/20 0.53
SI P14410 2/20 0.53
MGAM2 Q2M2H8 2/20 0.53
CLK2 P49760 2/20 0.53
NFKB1 P19838 1/20 0.52
CYP3A4 P08684 1/20 0.50
CA9 Q16790 1/20 0.50
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL13016751 0.97 MAOA (0.58) ALDH1A1HPGDHSD17B10GAATSHR
SCHEMBL7531522 0.84 RXFP1 (0.60) ALDH1A1HPGDHSD17B10GAATSHR
SCHEMBL8229647 0.80 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10GAATSHR
SCHEMBL14454479 0.78 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10GAATSHR
SCHEMBL10790717 0.78 ALDH1A1 (0.51) ALDH1A1HPGDHSD17B10GAATSHR
SCHEMBL7532870 0.77 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10GAATSHR
SCHEMBL10795217 0.77 CYP1A2 (0.53) ALDH1A1HPGDHSD17B10GAATSHR
SCHEMBL30591241 0.75 MGAM (0.61) ALDH1A1HPGDHSD17B10GAATSHR
SCHEMBL274753 0.75 ALDH1A1 (0.72) ALDH1A1HPGDHSD17B10GAATSHR
SCHEMBL10790197 0.75 MAOA (0.51) ALDH1A1HPGDHSD17B10GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109293493-B Novel benzhydryl compounds with mycobacterium tuberculosis inhibiting activity 清华大学 2021-08-03 CN 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
EP-2216335-A1 TETRIACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF Institute of Mataria Medica, Chinese Academy of Medical Sciences (CN) 2010-08-11 EP disclosed
EP-1001774-B1 USE OF PHOSPHOLAMBAN INHIBITORS FOR INCREASING CORONARY FLOW ORION CORP (FI) 2004-09-15 EP disclosed
US-6774103-B1 Compounds for deactivating phospholamban function on Ca-ATPase (phospholamban inhibitors) ORION CORPORATION (FI) 2004-08-10 US 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
WO-2002028183-A1 FUNGICIDES SYNGENTA LIMITED (GB) 2002-04-11 WO disclosed
US-6265421-B1 DILATATION OF ARTERIES ORION CORPORATION (FI) 2001-07-24 US disclosed
EP-1039884-A1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORPORATION (FI) 2000-10-04 EP disclosed
EP-1017691-A1 BISETHERS OF 1-OXA, AZA AND THIANAPHTHALEN-2-ONES AS PHOSPHOLAMBAN INHIBITORS ORION CORPORATION (ORION-YHTYMA OY) (FI) 2000-07-12 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-1999015523-A1 BISETHERS OF 1-OXA, AZA AND THIANAPHTHALEN-2-ONES AS PHOSPHOLAMBAN INHIBITORS ORION CORPORATION (FI) 1999-04-01 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 (1 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 ALDH1A1 482/4885HPGD 1602/4885HSD17B10 159/4885

“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.