SCHEMBL3780427

SCHEMBL3780427

O=c1cc(C2CCCCC2)c2c(O)cc(O)cc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
CYP3A4 P08684 4/20 0.53
HPGD P15428 4/20 0.53
HSD17B10 Q99714 4/20 0.53
TSHR P16473 2/20 0.53
CASP7 P55210 2/20 0.53
CASP1 P29466 1/20 0.53
CA9 Q16790 1/20 0.53
MGAM O43451 5/20 0.47
GAA P10253 4/20 0.47
SI P14410 3/20 0.47
MGAM2 Q2M2H8 3/20 0.47
MAP1LC3B Q9GZQ8 1/20 0.47
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPK1 P28482 2/20 0.45
MAOA P21397 6/20 0.41
PIM1 P11309 4/20 0.41
FASN P49327 2/20 0.41

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
SCHEMBL3784810 0.98 ALDH1A1 (0.54) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL27903486 0.83 ALDH1A1 (0.57) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL28129095 0.76 MCL1 (0.50) ALDH1A1CYP3A4HPGDHSD17B10CASP7
SCHEMBL24437990 0.75 MAPT (0.50) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL12378907 0.75 GAA (0.54) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL536984 0.75 ALDH1A1 (0.72) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL17072540 0.75 HSD17B3 (0.58) ALDH1A1HPGDHSD17B10TSHRCASP7
SCHEMBL12636901 0.73 MGAM (0.51) ALDH1A1CYP3A4HPGDHSD17B10TSHR
SCHEMBL6587952 0.71 CCR4 (0.51) ALDH1A1CYP3A4HPGDHSD17B10TSHR
5,7-Dihydroxy-4-Methylcoumarin SCHEMBL403833 0.69 ALDH1A1 (1.00) ALDH1A1CYP3A4HPGDHSD17B10TSHR

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 7 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
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
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 ALDH1A1 482/4885CYP3A4 391/4885HPGD 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.