SCHEMBL4044561

SCHEMBL4044561

CCOC(=O)c1cc2c(s1)-c1cc(OCc3ccccc3)ccc1Oc1ccccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.50
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ESR1 P03372 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
LMNA P02545 1/20 0.41
NMT1 P30419 4/20 0.41
NMT2 O60551 1/20 0.41

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
SCHEMBL4043815 0.93 PPARG (0.49) PPARGMAOBMEN1HSP90AA1KMT2A
SCHEMBL4044784 0.90 HPGD (0.45) PPARGMAOBMEN1KMT2AL3MBTL1
SCHEMBL4045972 0.87 ALDH1A1 (0.48) PPARGMAOBMEN1HSP90AA1KMT2A
SCHEMBL4047340 0.85 PPARG (0.44) PPARGMAOBMEN1HSP90AA1KMT2A
SCHEMBL4048780 0.84 ALDH1A1 (0.50) MAOBMEN1KMT2AL3MBTL1KDM4E
SCHEMBL5422453 0.82 ALDH1A1 (0.50) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL4046992 0.80 ALDH1A1 (0.47) PPARGMAOBMEN1HSP90AA1KMT2A
SCHEMBL4045388 0.79 ALDH1A1 (0.49) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL5424122 0.78 KDM4E (0.44) PPARGMAOBMEN1HSP90AA1KMT2A
SCHEMBL4048452 0.78 MEN1 (0.43) PPARGMAOBMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PPARG 296/4885MAOB 1459/4885MEN1 2525/4885

“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.