SCHEMBL3779672

SCHEMBL3779672

CCCc1c(Cl)c(=O)oc2cc(O)cc(O)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 2/20 0.58
POLH Q9Y253 1/20 0.52
ALDH1A1 P00352 6/20 0.50
GAA P10253 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
HSD17B10 Q99714 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B3 P37058 2/20 0.47
CLK2 P49760 1/20 0.47
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL3782670 0.83 PGAM1 (0.58) PGAM1POLHALDH1A1GAAKDM4E
SCHEMBL3775913 0.77 HSD17B3 (0.58) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL11493552 0.74 ALDH1A1 (0.60) PGAM1ALDH1A1GAAKDM4EMEN1
SCHEMBL3779686 0.74 ALDH1A1 (0.50) PGAM1POLHALDH1A1GAAKDM4E
SCHEMBL8745801 0.72 KDM4E (0.64) PGAM1ALDH1A1GAAKDM4EMEN1
SCHEMBL31152138 0.72 ALDH1A1 (0.83) PGAM1POLHALDH1A1GAAKDM4E
SCHEMBL3775925 0.72 ALDH1A1 (0.83) PGAM1POLHALDH1A1GAAKDM4E
SCHEMBL15501056 0.70 HSD17B3 (0.49) PGAM1POLHALDH1A1GAAKDM4E
SCHEMBL26338486 0.70 CLK2 (0.43) ALDH1A1GAAKDM4EMEN1MAPK1
SCHEMBL3782322 0.70 CLK2 (0.63) POLHALDH1A1GAAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101896492-B Tetriacyclodipyranyl coumarins and the anti-HIV and anti-tuberculosis uses thereof INST OF MATARIA MEDICA CHINESE 2015-05-06 CN 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
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
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-101896492-A Tetriacyclodipyranyl coumarins and the anti-HIV and anti-tuberculosis uses thereof INST OF MATARIA MEDICA CHINESE 2010-11-24 CN 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
CN-101100470-A Tetracyclic bispyranyl coumarin compounds INST MATERIA MEDICA CAMS (CN) 2008-01-09 CN 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 PGAM1 1895/4885POLH 1607/4885ALDH1A1 482/4885

“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.