SCHEMBL5645271

SCHEMBL5645271

CC(C)CN(C(=O)OC(C)(C)C)c1ccc(C=O)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
STAT5B P51692 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MCL1 Q07820 7/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BCL2L1 Q07817 3/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL5648495 0.77 ITGB1 (0.48) ITGB1ITGA4ALDH1A1AAK1
SCHEMBL15066806 0.72 TYR (0.40) TYRTRIM24TRIM33MAPTKDM4E
SCHEMBL3315175 0.71 TSHR (0.39) STAT5BMAPTKDM4EALDH1A1GAA
SCHEMBL16948217 0.69 TYR (0.45) TYRTRIM24TRIM33
SCHEMBL5891976 0.68 TYR (0.45) TYRTRIM24TRIM33MAPTKDM4E
SCHEMBL14940735 0.68 TYR (0.56) TYRTRIM24TRIM33MAPTKDM4E
SCHEMBL1821771 0.67 TYR (0.47) TYRTRIM24TRIM33
SCHEMBL31509882 0.67 TYR (0.47) TYRTRIM24TRIM33
SCHEMBL5728601 0.67 TYR (0.54) TYRTRIM24TRIM33MAPTKDM4E
SCHEMBL4838461 0.66 ALDH1A1 (0.47) MAPTKDM4EALDH1A1

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-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US disclosed
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
US-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions CARTER JEFFERY (US) 2005-07-07 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 (2 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-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions PTGES2, PTGER2, PTGS2 TYR 488/4885ITGB1 4215/4885ITGA4 3874/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES TYR 496/4885ITGB1 3658/4885ITGA4 3511/4885

“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.