Reynoutrin

Reynoutrin

SCHEMBL4226891

O=c1c(O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.71
AKR1B1 P15121 6/20 0.71
P4HB P07237 5/20 0.71
EPHX2 P34913 5/20 0.71
MAOA P21397 4/20 0.71
XDH P47989 4/20 0.71
L3MBTL1 Q9Y468 3/20 0.71
SLCO2B1 O94956 3/20 0.71
PIM2 Q9P1W9 2/20 0.71
ALDH1A1 P00352 2/20 0.71
CA12 O43570 2/20 0.71
CA2 P00918 2/20 0.71
CA4 P22748 2/20 0.71
CA7 P43166 2/20 0.71
GAA P10253 7/20 0.69
POLB P06746 6/20 0.69
MAPT P10636 6/20 0.69
ALPI P09923 2/20 0.69
LMNA P02545 2/20 0.69
ADRA2C P18825 2/20 0.69

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
Reynoutrin SCHEMBL31130799 1.00 KDM4E (0.71) KDM4EAKR1B1P4HBEPHX2MAOA
Reynoutrin SCHEMBL14350762 1.00 KDM4E (0.71) KDM4EAKR1B1P4HBEPHX2MAOA
Reynoutrin SCHEMBL3641504 1.00 KDM4E (0.71) KDM4EAKR1B1P4HBEPHX2MAOA
Reynoutrin SCHEMBL38138 1.00 KDM4E (0.71) KDM4EAKR1B1P4HBEPHX2MAOA
Reynoutrin SCHEMBL5590747 1.00 KDM4E (0.71) KDM4EAKR1B1P4HBEPHX2MAOA
Reynoutrin SCHEMBL20298285 1.00 KDM4E (0.71) KDM4EAKR1B1P4HBEPHX2MAOA
Guajaverin SCHEMBL3635416 1.00 KDM4E (0.71) KDM4EAKR1B1P4HBEPHX2MAOA
Reynoutrin SCHEMBL6759025 1.00 KDM4E (0.71) KDM4EAKR1B1P4HBEPHX2MAOA
Reynoutrin SCHEMBL6119167 1.00 KDM4E (0.71) KDM4EAKR1B1P4HBEPHX2MAOA
Reynoutrin SCHEMBL28550462 1.00 KDM4E (0.71) KDM4EAKR1B1P4HBEPHX2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090182133-A1 BENZOPYRANONE DERIVATIVES AND THEIR USE AS ANTI-VIRAL AGENTS SINGAPORE POLYTECHNIC 2009-07-16 US disclosed
US-20070292539-A1 Anti-inflammatory cranberry flavonol extract preparations VORSA NICHOLI 2007-12-20 US 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-20090182133-A1 BENZOPYRANONE DERIVATIVES AND THEIR USE AS ANTI-VIRAL AGENTS SARS1, MAVS, ACE2 KDM4E 1537/4885AKR1B1 2246/4885P4HB 4070/4885
US-20070292539-A1 Anti-inflammatory cranberry flavonol extract preparations LGALS3, FUT6, GALNT6 KDM4E 714/4885AKR1B1 2465/4885P4HB 4447/4885

“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.