SCHEMBL5570772

SCHEMBL5570772

CCOC(=O)COc1c2cccc1Cc1cc(Br)cc(c1O)Cc1cccc(c1OCC(=O)OCC)Cc1cc(Br)cc(c1O)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD69 Q07108 2/20 0.48
GSTA1 P08263 6/20 0.47
GSTP1 P09211 6/20 0.47
PTPRC P08575 4/20 0.47
PTPN2 P17706 4/20 0.47
PTPN1 P18031 4/20 0.47
PTPRB P23467 4/20 0.47
PTPN11 Q06124 4/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
LGALS1 P09382 1/20 0.41
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
USP2 O75604 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL711720 0.90 CD69 (0.55) CD69GSTA1GSTP1PTPRCPTPN2
SCHEMBL20994038 0.87 CD69 (0.62) CD69GSTA1GSTP1PTPRCPTPN2
SCHEMBL704505 0.87 CD69 (0.62) CD69GSTA1GSTP1PTPRCPTPN2
SCHEMBL8368429 0.86 CD69 (0.47) CD69GSTA1GSTP1PTPRCPTPN2
SCHEMBL12856777 0.79 GSTA1 (0.63) CD69GSTA1GSTP1PTPRCPTPN2
SCHEMBL15541270 0.77 CD69 (0.50) CD69ALDH1A1LGALS1PPARGPPARA
SCHEMBL15541362 0.74 CD69 (0.47) CD69GSTA1GSTP1PTPRCPTPN2
SCHEMBL7028752 0.73 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C19KDM4EGAA
SCHEMBL23931194 0.73 GSTA1 (0.58) CD69GSTA1GSTP1PTPRCPTPN2
SCHEMBL14252839 0.72 CA12 (0.55) ALDH1A1CASP3CASP7CASP9PPARG

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-20070027075-A1 Compositions and methods for targeted drug delivery UNIVERSITY OF CINCINNATI 2007-02-01 US disclosed
WO-2005004795-A2 COMPOSITIONS AND METHODS FOR TARGETED DRUG DELIVERY UNIVERSITY OF CINCINNATI (US) 2005-01-20 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-20070027075-A1 Compositions and methods for targeted drug delivery SLC47A1, SLC47A2, SLC46A1 CD69 2441/4885GSTA1 1928/4885GSTP1 2654/4885

“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.