SCHEMBL4042886

SCHEMBL4042886

OCc1cc2c(s1)-c1cc(OCc3ccccc3)ccc1Oc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.43
MAOA P21397 7/20 0.43
CA2 P00918 2/20 0.40
TOP1 P11387 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
ALOX5 P09917 1/20 0.40
GSTP1 P09211 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL4048616 0.92 MAOB (0.44) MAOBMAOACA2TOP1ALOX5
SCHEMBL4044784 0.81 HPGD (0.45) MAOBMAOACA2TOP1CA12
SCHEMBL4046122 0.80 CACNA1B (0.43) MAOBMAOAPDK2ALDH1A1SMN1; SMN2
SCHEMBL4044517 0.80 SLC6A4 (0.39) MAOBMAOACA2CA12CA1
SCHEMBL4044561 0.79 PPARG (0.50) MAOBLMNANPC1ALDH1A1HPGD
SCHEMBL4047340 0.78 PPARG (0.44) MAOBMAOACA2CA12CA1
SCHEMBL5418310 0.77 CYP2A6 (0.41) SMN1; SMN2NPSR1
SCHEMBL4044507 0.73 PDK2 (0.43) MAOBMAOAPDK2ALDH1A1SMN1; SMN2
SCHEMBL4044513 0.73 SLC6A4 (0.39) MAOBMAOACA2PDK2CA5A
SCHEMBL4043815 0.72 PPARG (0.49) MAOBMAOALMNANPC1ALDH1A1

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 2313/4885CA2 3768/4885

“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.