SCHEMBL4044879

SCHEMBL4044879

CN(C)CCCOC(=O)c1cc2c(s1)-c1cc(Cl)ccc1Oc1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
ALDH1A1 P00352 5/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PFKFB3 Q16875 1/20 0.39
PFKFB4 Q16877 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 3/20 0.38
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 2/20 0.35
MEN1 O00255 1/20 0.35
RAD52 P43351 1/20 0.35
PAX8 Q06710 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4049428 0.94 TP53 (0.38) GAAALDH1A1MAPTMAPK1HSD17B10
SCHEMBL4040894 0.85 MAPK1 (0.40) GAAALDH1A1MAPTMAPK1HSD17B10
SCHEMBL4049133 0.84 CACNA1B (0.44) ALDH1A1MAPTMAPK1HSD17B10KDM4E
SCHEMBL4045889 0.83 CACNA1B (0.43) GAAALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL4044236 0.83 MAOB (0.43) GAAALDH1A1MAPTMAPK1HSD17B10
SCHEMBL4103520 0.81 KDM4E (0.39) GAAALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL4037140 0.80 MAPK1 (0.36) MAPK1KDM4EKMT2AMEN1TDP1
SCHEMBL4044883 0.79 CACNA1B (0.43) GAAALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL5414630 0.78 CACNA1B (0.40) GAAALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL4047988 0.77 MAPT (0.41) GAAALDH1A1MAPTMAPK1HSD17B10

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 2 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 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 GAA 697/4885ALDH1A1 35/4885MAPT 1841/4885

“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.