SCHEMBL5574629

SCHEMBL5574629

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ GAA P10253 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SLC6A4 P31645 1/20 0.43
▸ ABCB1 P08183 2/20 0.42
▸ ABCC1 P33527 1/20 0.42
▸ GSTA1 P08263 5/20 0.41
▸ GSTP1 P09211 5/20 0.41
▸ CD69 Q07108 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL5574576 0.88 CD69 (0.56) SMN1; SMN2GSTA1GSTP1CD69PGR
SCHEMBL5574627 0.83 GSTA1 (0.44) ALDH1A1MEN1KMT2AGSTA1GSTP1
SCHEMBL5570767 0.82 GSTA1 (0.45) ALDH1A1MEN1KMT2AGSTA1GSTP1
SCHEMBL5572030 0.74 MAP4K4 (0.39) ALDH1A1CYP2C19MEN1KMT2AGSTA1
SCHEMBL1784315 0.72 ALDH1A1 (0.63) ALDH1A1GAACYP1A2CYP2C19RAB9A
SCHEMBL5989388 0.70 PTGDR2 (0.54) ALDH1A1GAACYP1A2CYP2C19RAB9A
SCHEMBL12087531 0.69 MEN1 (0.55) ALDH1A1GAACYP1A2CYP2C19RAB9A
SCHEMBL711720 0.67 CD69 (0.55) ALDH1A1GAASMN1; SMN2ABCB1GSTA1
SCHEMBL18538297 0.67 ALDH1A1 (0.48) ALDH1A1CYP1A2RAB9ASMN1; SMN2MEN1
SCHEMBL15517693 0.66 PTGS2 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2APTGS2

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 ALDH1A1 2662/4885GAA 1209/4885CYP1A2 1372/4885

“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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