SCHEMBL4035860

SCHEMBL4035860

O=C(O)C=Cc1cc2c(s1)-c1cc(F)ccc1Oc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
NOTUM Q6P988 1/20 0.38
TDO2 P48775 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 1/20 0.36
HRH4 Q9H3N8 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH2 P25021 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ESR1 P03372 3/20 0.33

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
SCHEMBL4035859 1.00 ALOX5 (0.39) ALOX5NOTUMTDO2KDM4EHTT
SCHEMBL4037833 0.90 GAA (0.39) NOTUMKDM4EALDH1A1GAAL3MBTL1
SCHEMBL4037837 0.90 GAA (0.39) NOTUMKDM4EALDH1A1GAAL3MBTL1
SCHEMBL4038718 0.87 KDM4E (0.40) ALOX5NOTUMKDM4EALDH1A1GAA
SCHEMBL4046001 0.87 KDM4E (0.40) ALOX5NOTUMKDM4EALDH1A1GAA
SCHEMBL4036046 0.76 HRH4 (0.39) NOTUMKDM4EHRH4ALDH1A1HRH2
SCHEMBL4036049 0.76 HRH4 (0.39) NOTUMKDM4EHRH4ALDH1A1HRH2
SCHEMBL4041762 0.75 NOTUM (0.39) NOTUMKDM4EALDH1A1GAAL3MBTL1
SCHEMBL6333988 0.75 KDM4E (0.39) ALOX5KDM4EALDH1A1GAAL3MBTL1
SCHEMBL4043399 0.73 HRH4 (0.38) KDM4EHTTHRH4ALDH1A1HRH2

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
EP-1284977-B1 THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS GLAXOSMITHKLINE ZAGREB (HR) 2009-06-24 EP claimed
US-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA D.D. (HR) 2005-08-04 US claimed
US-6897211-B2 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-05-24 US claimed
EP-1284977-B1 THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS GLAXOSMITHKLINE ZAGREB (HR) 2009-06-24 EP disclosed
US-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA D.D. (HR) 2005-08-04 US disclosed
US-6897211-B2 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-05-24 US disclosed
US-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA FARMACEUTSKA INDUSTRIJA, DIONICKO DRUSTVO 2003-08-14 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-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors TNF, IL1B, IL1A ALOX5 36/4885NOTUM 1100/4885TDO2 160/4885
US-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors TNF, IL1B, IL1A ALOX5 37/4885NOTUM 1089/4885TDO2 171/4885

“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.