SCHEMBL4045388

SCHEMBL4045388

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
HPGD P15428 6/20 0.49
KDM4E B2RXH2 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
GAA P10253 4/20 0.44
MAPT P10636 4/20 0.44
ATM Q13315 3/20 0.44
RAB9A P51151 3/20 0.44
GLA P06280 2/20 0.44
NPC1 O15118 2/20 0.44
ALOX5 P09917 4/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
TSHR P16473 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPK1 P28482 2/20 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
SCHEMBL4048780 0.92 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ETDP1L3MBTL1
SCHEMBL5425312 0.89 ALDH1A1 (0.45) ALDH1A1HPGDKDM4ETDP1L3MBTL1
SCHEMBL4046992 0.87 ALDH1A1 (0.47) ALDH1A1HPGDKDM4ETDP1L3MBTL1
SCHEMBL5422453 0.85 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ETDP1L3MBTL1
SCHEMBL4040894 0.85 MAPK1 (0.40) ALDH1A1HPGDKDM4ETDP1L3MBTL1
SCHEMBL4043815 0.85 PPARG (0.49) ALDH1A1HPGDKDM4ETDP1L3MBTL1
SCHEMBL4053059 0.82 NOTUM (0.50) ALDH1A1HPGDKDM4ETDP1L3MBTL1
SCHEMBL5424297 0.82 KDM4E (0.55) ALDH1A1HPGDKDM4ETDP1L3MBTL1
SCHEMBL4045972 0.81 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ETDP1L3MBTL1
SCHEMBL4048452 0.81 MEN1 (0.43) ALDH1A1HPGDKDM4ETDP1L3MBTL1

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 disclosed
US-20060069149-A1 Thiadibenzoazulene derivatives for the treatment of inflammatory diseases PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-03-30 US disclosed
EP-1603921-A1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2005-12-14 EP disclosed
WO-2004078763-A1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2004-09-16 WO 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 ALDH1A1 35/4885HPGD 120/4885KDM4E 3071/4885

“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.