SCHEMBL3782322

SCHEMBL3782322

Cc1c(C)c2c(O)cc(O)cc2oc1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 1/20 0.63
ALDH1A1 P00352 3/20 0.61
HPGD P15428 2/20 0.61
CASP1 P29466 2/20 0.61
CASP7 P55210 2/20 0.61
HSD17B10 Q99714 2/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
CA9 Q16790 1/20 0.61
CCR4 P51679 6/20 0.60
GAA P10253 3/20 0.60
KDM4E B2RXH2 2/20 0.60
MGAM O43451 2/20 0.60
SI P14410 2/20 0.60
MGAM2 Q2M2H8 2/20 0.60
MAPT P10636 1/20 0.60
NUAK1 O60285 2/20 0.59
IGF1R P08069 2/20 0.59
PIM1 P11309 2/20 0.59
SRC P12931 2/20 0.59

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
SCHEMBL3775913 0.86 HSD17B3 (0.58) CLK2ALDH1A1HPGDCASP1CASP7
SCHEMBL11217107 0.85 CLK2 (0.63) CLK2ALDH1A1HPGDCASP1CASP7
SCHEMBL8745801 0.81 KDM4E (0.64) CLK2ALDH1A1HPGDCASP1CASP7
SCHEMBL8745756 0.81 KDM4E (0.64) CLK2ALDH1A1HPGDCASP1CASP7
SCHEMBL27907872 0.80 ALDH2 (0.47) CLK2ALDH1A1HPGDCASP1CASP7
SCHEMBL27928272 0.80 ERAP1 (0.64) CLK2ALDH1A1HPGDCASP1CASP7
SCHEMBL5085562 0.80 KDM4E (0.72) CLK2ALDH1A1HPGDCASP1CASP7
SCHEMBL6587952 0.78 CCR4 (0.51) CLK2ALDH1A1HPGDCASP1CASP7
SCHEMBL12636905 0.78 MGAM (0.67) CLK2ALDH1A1HPGDCASP1CASP7
Alternariol SCHEMBL29423320 0.78 CLK2 (1.00) CLK2ALDH1A1HPGDCASP1CASP7

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 11 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
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 CLK2 2768/4885ALDH1A1 482/4885HPGD 1602/4885

“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.