SCHEMBL312128

SCHEMBL312128

COc1ccc(C(=O)Oc2ccccc2C(C)=O)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
KMT2A Q03164 4/20 0.50
AKR1C3 P42330 3/20 0.50
AKR1C2 P52895 3/20 0.50
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AKR1B10 O60218 1/20 0.47
AKR1B1 P15121 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C1 Q04828 1/20 0.47
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL1632528 0.83 ALDH1A1 (0.57) MAPTKMT2AAKR1C3AKR1C2ALDH1A1
SCHEMBL27348299 0.80 KMT2A (0.61) MAPTKMT2AALDH1A1RAB9AHPGD
SCHEMBL1571262 0.79 AKR1C3 (0.54) MAPTKMT2AAKR1C3AKR1C2ALDH1A1
SCHEMBL28390304 0.78 MAPT (0.60) MAPTKMT2AALDH1A1RAB9AHPGD
SCHEMBL7366574 0.77 TSHR (0.53) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL22749356 0.76 AKR1C3 (0.52) MAPTKMT2AAKR1C3AKR1C2ALDH1A1
SCHEMBL311792 0.74 KMT2A (0.62) MAPTKMT2AALDH1A1RAB9AHPGD
SCHEMBL147187 0.74 AKR1C3 (0.63) MAPTKMT2AAKR1C3AKR1C2ALDH1A1
SCHEMBL12326834 0.74 ALDH1A1 (0.53) MAPTAKR1C3AKR1C2ALDH1A1RAB9A
SCHEMBL28499327 0.74 ALDH1A1 (0.62) MAPTKMT2AAKR1C3AKR1C2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242130-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-08-14 US disclosed
EP-1838296-B1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP (CA) 2012-08-08 EP disclosed
US-8093273-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-01-10 US disclosed
EP-2332527-A2 Flavanoids and Isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2011-06-15 EP disclosed
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2009-10-15 US disclosed
EP-1838296-A2 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2007-10-03 EP disclosed
US-20060205767-A1 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases HEPALINK (HONG KONG) LIMITED (HK) 2006-09-14 US disclosed
WO-2006045096-A2 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2006-04-27 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 (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-20060205767-A1 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases APOB, APOL1, FABP3 MAPT 2914/4885KMT2A 2842/4885AKR1C3 1024/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 MAPT 2914/4885KMT2A 2842/4885AKR1C3 1024/4885

“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.