SCHEMBL5042380

SCHEMBL5042380

C=CCOc1cccc(C=O)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.57
TLR2 O60603 1/20 0.57
TLR1 Q15399 1/20 0.57
TLR6 Q9Y2C9 1/20 0.57
HPGD P15428 2/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LIG1 P18858 1/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2A6 P11509 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
ADRA2A P08913 1/20 0.39

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
SCHEMBL6905536 0.85 TSHR (0.42) ERN1TLR2TLR1TLR6HPGD
SCHEMBL28376944 0.84 ERN1 (0.54) ERN1TLR2TLR1TLR6HPGD
SCHEMBL1482988 0.82 ALDH1A1 (0.68) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL29690311 0.82 ALDH1A1 (0.68) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL14507606 0.82 ERN1 (0.65) ERN1TLR2TLR1TLR6HPGD
SCHEMBL3944635 0.81 HPGD (0.49) ERN1TLR2TLR1TLR6HPGD
SCHEMBL978930 0.80 HPGD (0.50) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL3967770 0.80 HPGD (0.47) ERN1TLR2TLR1TLR6HPGD
SCHEMBL2522004 0.80 HPGD (0.47) ERN1TLR2TLR1TLR6HPGD
SCHEMBL28190797 0.80 HPGD (0.47) ERN1TLR2TLR1TLR6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108358761-B Salvianolic acid A intermediate and preparation method thereof 上海交通大学 2020-11-06 CN disclosed
US-8198302-B2 Anticancer agent having a quinone, quinone prodrug, catechol or catechol prodrug moiety; free of combretastatin A-1 OXIGENE, INC. (US) 2012-06-12 US disclosed
EP-1601348-A4 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE INC (US) 2008-12-10 EP disclosed
US-20070123503-A1 Cyclic salen-metal compounds: reactive oxygen species scavengers useful as antioxidants in the treatment and prevention of diseases EUKARION, INC. 2007-05-31 US disclosed
US-7122537-B2 Cyclic salen-metal compounds as scavengers for oxygen radicals and useful as antioxidants in the treatment and prevention of diseases EUKARION, INC. (US) 2006-10-17 US disclosed
EP-1688425-A2 Cyclic salen-metal compounds as scavengers for oxygen radicals and useful as antioxidants in the treatment and prevention of diseases EUKARION, INC. (US) 2006-08-09 EP disclosed
EP-1349864-B1 CYCLIC SALEN-METAL COMPOUNDS AS SCAVENGERS FOR OXYGEN RADICALS AND USEFUL AS ANTIOXIDANTS IN THE TREATMENT AND PREVENTION OF DISEASES EUKARION INC (US) 2006-05-17 EP disclosed
EP-1601348-A2 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE, INC. (US) 2005-12-07 EP disclosed
US-20040242696-A1 Compositions and methods with enhanced therapeutic activity MATEON THERAPEUTICS, INC. 2004-12-02 US disclosed
WO-2004078126-A2 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE, INC. (US) 2004-09-16 WO disclosed
US-20040059107-A1 Cyclic salen-metal compounds as scavengers for oxygen radicals and useful as antioxidants in the treatment and prevention of diseases EUKARION, INC. 2004-03-25 US disclosed
EP-1349864-A2 CYCLIC SALEN-METAL COMPOUNDS AS SCAVENGERS FOR OXYGEN RADICALS AND USEFUL AS ANTIOXIDANTS IN THE TREATMENT AND PREVENTION OF DISEASES EUKARION, INC. (US) 2003-10-08 EP disclosed
US-6589948-B1 Salen-metal compound having the following structure: manganese complex EUKARION, INC. 2003-07-08 US disclosed
WO-2002044187-A2 CYCLIC SALEN-METAL COMPOUNDS AS SCAVENGERS FOR OXYGEN RADICALS AND USEFUL AS ANTIOXIDANTS IN THE TREATMENT AND PREVENTION OF DISEASES EUKARION, INC. (US) 2002-06-06 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 (3 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-20040242696-A1 Compositions and methods with enhanced therapeutic activity NQO1, MKI67, COMT ERN1 3895/4885TLR2 4556/4885TLR1 4497/4885
US-20040059107-A1 Cyclic salen-metal compounds as scavengers for oxygen radicals and useful as antioxidants in the treatment and prevention of diseases CAT, SOD3, SOD1 ERN1 3681/4885TLR2 3720/4885TLR1 2790/4885
US-20070123503-A1 Cyclic salen-metal compounds: reactive oxygen species scavengers useful as antioxidants in the treatment and prevention of diseases CAT, SOD3, SOD1 ERN1 3558/4885TLR2 3780/4885TLR1 2877/4885

“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.