SCHEMBL6201471

SCHEMBL6201471

C1=Cc2c3cccc-3cc3ccccc3c2CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.38
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 3/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CASP1 P29466 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 4/20 0.33
ATM Q13315 2/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MPI P34949 1/20 0.32
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7236846 0.75 ALOX5 (0.35) ALOX5ALDH1A1HPGDTSHRMAPK1
SCHEMBL4849289 0.73 ALDH1A1 (0.33) ALOX5ALDH1A1HPGDTSHRMAPK1
SCHEMBL3624225 0.68 CYP2B6 (0.40) ALOX5ALDH1A1HPGDTSHRMAPK1
SCHEMBL4037430 0.67 ALDH1A1 (0.54) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL2543830 0.65 ALDH1A1 (0.57) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL4039124 0.65 ALDH1A1 (0.33) ALOX5ALDH1A1HPGDTSHRMAPK1
SCHEMBL5363332 0.64 ALOX5 (0.34) ALOX5ALDH1A1HPGDTSHRMAPK1
SCHEMBL6618016 0.63 ALDH1A1 (0.39) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL14036308 0.61 MCL1 (0.53) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL29628903 0.61 MCL1 (0.53) ALDH1A1HPGDTSHRMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1315838-C 1-oxa-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA D D (HR) 2007-05-16 CN disclosed
US-20050209214-A1 1-oxa-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-09-22 US disclosed
CN-1665821-A 1-oxa-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA D D (HR) 2005-09-07 CN disclosed
US-20050148577-A1 1-oxa-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-07-07 US disclosed
EP-1506204-A2 1-OXA-DIBENZOAZULENES AS INHIBITORS OF TUMOR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF Pliva - Istrazivacki Institut d.o.o. (HR) 2005-02-16 EP disclosed
WO-2003097649-A2 1-OXA-DIBENZOAZULENES AS INHIBITORS OF TUMOR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (HR) 2003-11-27 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-20050148577-A1 1-oxa-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof TNF, IL1B, IL1A ALOX5 157/4885ALDH1A1 41/4885HPGD 141/4885
US-20050209214-A1 1-oxa-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1B, IL1A ALOX5 160/4885ALDH1A1 43/4885HPGD 133/4885

“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.