SCHEMBL5574576

SCHEMBL5574576

O=C(O)COc1c2cccc1Cc1cc(-c3cccc([N+](=O)[O-])c3)cc(c1O)Cc1cccc(c1OCC(=O)O)Cc1cc(-c3cccc([N+](=O)[O-])c3)cc(c1O)C2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CD69 Q07108 3/20 0.56
▸ PTGDR2 Q9Y5Y4 1/20 0.47
▸ PGR P06401 1/20 0.42
▸ GSTA1 P08263 5/20 0.41
▸ GSTP1 P09211 5/20 0.41
▸ TDP2 O95551 1/20 0.41
▸ GRK6 P43250 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MME P08473 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ F7 P08709 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
SCHEMBL5574629 0.88 ALDH1A1 (0.47) CD69PGRGSTA1GSTP1TDP2
SCHEMBL16545618 0.75 CD69 (0.56) CD69PTGDR2SMN1; SMN2ELANE
SCHEMBL19570312 0.74 CD69 (1.00) CD69TDP1SMN1; SMN2ELANE
SCHEMBL18538268 0.74 CD69 (0.52) CD69PTGDR2GSTA1GSTP1ELANE
SCHEMBL18538272 0.74 CD69 (0.52) CD69PTGDR2GSTA1GSTP1ELANE
SCHEMBL18538275 0.74 CD69 (0.52) CD69PTGDR2GSTA1GSTP1ELANE
SCHEMBL5574627 0.70 GSTA1 (0.44) CD69GSTA1GSTP1
SCHEMBL217722 0.70 LMNA (0.57) PTGDR2
SCHEMBL5989809 0.69 PTGDR2 (0.71) PTGDR2TDP1
SCHEMBL5570767 0.69 GSTA1 (0.45) CD69GSTA1GSTP1

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 2441/4885PTGDR2 613/4885PGR 946/4885

“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.

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