SCHEMBL4045394

SCHEMBL4045394

O=C(O)c1cc2c(s1)-c1cc(O)ccc1Oc1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 4/20 0.48
KDM4E B2RXH2 3/20 0.48
GAA P10253 2/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
BRCA1 P38398 1/20 0.38
YWHAG P61981 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 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
SCHEMBL4053059 0.91 NOTUM (0.50) NOTUMALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4044717 0.85 NOTUM (0.56) NOTUMALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4043725 0.82 KDM4E (0.48) NOTUMALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4048780 0.82 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10KDM4EGAA
SCHEMBL4046143 0.76 KDM4E (0.50) NOTUMALDH1A1HPGDHSD17B10KDM4E
SCHEMBL24042749 0.74 CDK5 (0.46) ALDH1A1HPGDHSD17B10KDM4EMAPK1
SCHEMBL4045388 0.73 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10KDM4EGAA
SCHEMBL4044784 0.73 HPGD (0.45) ALDH1A1HPGDHSD17B10KDM4EGAA
SCHEMBL4049390 0.73 ESR1 (0.47) ALDH1A1HPGDHSD17B10KDM4EGAA
SCHEMBL4044561 0.69 PPARG (0.50) ALDH1A1HPGDKDM4EGAALMNA

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 NOTUM 1551/4885ALDH1A1 35/4885HPGD 120/4885

“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.