SCHEMBL4048616

SCHEMBL4048616

OCc1cc2c(s1)-c1ccc(OCc3ccccc3)cc1Oc1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.44
MAOA P21397 6/20 0.44
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
GRM5 P41594 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDK2 Q15119 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
TOP1 P11387 1/20 0.40
ALOX5 P09917 1/20 0.39
GSTP1 P09211 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 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
SCHEMBL4042886 0.92 MAOB (0.43) MAOBMAOANPSR1NPC1ALDH1A1
SCHEMBL4044507 0.81 PDK2 (0.43) MAOBMAOAALDH1A1SMN1; SMN2PDK2
SCHEMBL4044513 0.80 SLC6A4 (0.39) MAOBMAOANPSR1NPC1ALDH1A1
SCHEMBL4043815 0.79 PPARG (0.49) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL4043160 0.78 PPARG (0.43) MAOBMAOANPSR1NPC1ALDH1A1
SCHEMBL5418310 0.76 CYP2A6 (0.41) NPSR1SMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL4044784 0.73 HPGD (0.45) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL4046122 0.73 CACNA1B (0.43) MAOBMAOAALDH1A1SMN1; SMN2PDK2
SCHEMBL4044517 0.72 SLC6A4 (0.39) MAOBMAOACA2
SCHEMBL4044561 0.72 PPARG (0.50) MAOBNPC1ALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603921-B1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXOSMITHKLINE ZAGREB (HR) 2009-06-17 EP claimed
US-20060069149-A1 Thiadibenzoazulene derivatives for the treatment of inflammatory diseases PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-03-30 US claimed
EP-1603921-B1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXOSMITHKLINE ZAGREB (HR) 2009-06-17 EP disclosed
US-20060069149-A1 Thiadibenzoazulene derivatives for the treatment of inflammatory diseases PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-03-30 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 (1 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-20060069149-A1 Thiadibenzoazulene derivatives for the treatment of inflammatory diseases IL1B, IL1A, TNF MAOB 1459/4885MAOA 2313/4885NPSR1 2782/4885

“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.