SCHEMBL4363055

SCHEMBL4363055

COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2C(=O)CCc2cc3nc4ccc(=O)cc-4oc3cc2CC(C)(C)C(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.37
CYP1A2 P05177 1/20 0.33
SLC6A1 P30531 2/20 0.31
SLC6A11 P48066 1/20 0.31
TYMP P19971 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
SCHEMBL4363054 0.88 APP (0.37) APPCYP1A2SLC6A1SLC6A11TYMP
SCHEMBL4359986 0.84 ITGA4 (0.33) APPSLC6A1SLC6A11TYMP
SCHEMBL4358633 0.83 APP (0.31) APP
SCHEMBL4358661 0.83 APP (0.31) APP
SCHEMBL4017592 0.79 KDM4E (0.34) APPSLC6A1SLC6A11TYMP
SCHEMBL4969983 0.73 APP (0.34) APP
SCHEMBL13669326 0.73 SLC6A11 (0.37) CYP1A2SLC6A1SLC6A11TYMP
SCHEMBL16248722 0.73 SLC6A11 (0.44) CYP1A2SLC6A1SLC6A11TYMP
SCHEMBL4013956 0.73 APP (0.31) APP
SCHEMBL4013952 0.73 APP (0.31) APP

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
US-7601851-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-10-13 US disclosed
US-20050277144-A1 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2005-12-15 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-20050277144-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB APP 3054/4885CYP1A2 3646/4885SLC6A1 1684/4885

“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.