SCHEMBL4044384

SCHEMBL4044384

CCOC(=O)c1cc2c(s1)-c1ccc(OCCN3CCCC3)cc1Oc1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.45
PPARG P37231 3/20 0.45
MAOB P27338 1/20 0.44
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
HRH3 Q9Y5N1 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42

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
SCHEMBL4051251 0.86 ACHE (0.44) ACHEMAOBESR1ESR2HRH3
SCHEMBL4048452 0.84 MEN1 (0.43) PPARGMAOB
SCHEMBL4044883 0.83 CACNA1B (0.43) MAOB
SCHEMBL4046992 0.82 ALDH1A1 (0.47) PPARGMAOB
SCHEMBL4043815 0.82 PPARG (0.49) PPARGMAOBESR1
SCHEMBL4045388 0.78 ALDH1A1 (0.49)
SCHEMBL4049133 0.78 CACNA1B (0.44) ACHEMAOB
SCHEMBL5422453 0.77 ALDH1A1 (0.50)
SCHEMBL4045889 0.77 CACNA1B (0.43) ACHEPPARGMAOBESR1
SCHEMBL5435148 0.76 KDM4E (0.44) ACHEPPARGMAOBESR1

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 ACHE 1757/4885PPARG 296/4885MAOB 1459/4885

“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.