SCHEMBL5570767

SCHEMBL5570767

COC(=O)COc1c2cccc1Cc1cc(-c3cccc(N)c3)cc(c1O)Cc1cccc(c1OCC(=O)OC)Cc1cccc(c1O)C2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSTA1 P08263 6/20 0.45
▸ GSTP1 P09211 6/20 0.45
▸ CD69 Q07108 2/20 0.43
▸ PTPN1 P18031 5/20 0.40
▸ PTPRC P08575 4/20 0.40
▸ PTPN2 P17706 4/20 0.40
▸ PTPRB P23467 4/20 0.40
▸ PTPN11 Q06124 4/20 0.40
▸ LGALS1 P09382 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ MCL1 Q07820 1/20 0.34

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
SCHEMBL5574627 0.99 GSTA1 (0.44) GSTA1GSTP1CD69PTPN1PTPRC
SCHEMBL5572030 0.88 MAP4K4 (0.39) GSTA1GSTP1CD69LGALS1KDM4E
SCHEMBL5574629 0.82 ALDH1A1 (0.47) GSTA1GSTP1CD69KDM4EMEN1
SCHEMBL711720 0.72 CD69 (0.55) GSTA1GSTP1CD69PTPN1PTPRC
SCHEMBL5574576 0.69 CD69 (0.56) GSTA1GSTP1CD69
SCHEMBL5570772 0.68 CD69 (0.48) GSTA1GSTP1CD69PTPN1PTPRC
SCHEMBL217079 0.68 CYP3A4 (0.56) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL8368429 0.68 CD69 (0.47) GSTA1GSTP1CD69PTPN1PTPRC
SCHEMBL18538266 0.68 CD69 (0.40) GSTA1GSTP1CD69PTPN1PTPRC
SCHEMBL18538281 0.68 CD69 (0.40) GSTA1GSTP1CD69PTPN1PTPRC

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 GSTA1 1928/4885GSTP1 2654/4885CD69 2441/4885

“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.

Send feedback