SCHEMBL5774529

SCHEMBL5774529

CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ ASAH1 Q13510 2/20 0.53
▸ CETP P11597 4/20 0.52
▸ THRB P10828 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ASAH2 Q9NR71 1/20 0.50
▸ TLR2 O60603 3/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL14020667 0.88 CETP (0.58) TP53CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL16744155 0.80 TLR2 (0.56) TP53TLR2CASP3
SCHEMBL16744157 0.80 TLR2 (0.56) TP53TLR2CASP3
SCHEMBL16744156 0.80 TLR2 (0.56) TP53TLR2CASP3
SCHEMBL16744154 0.79 TLR2 (0.54) TP53TLR2CASP3
SCHEMBL27081834 0.79 CASP3 (0.52) TP53CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15087402 0.78 KMT2A (0.51) TP53KMT2ACASP3
SCHEMBL20371129 0.78 KMT2A (0.51) TP53KMT2ACASP3
SCHEMBL31105883 0.78 MAPT (0.70) TP53CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL15960134 0.77 KMT2A (0.52) TP53KMT2ACASP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116331-A1 Glycosylceramide analogues BIOMIRA, INC. (CA) 2006-06-01 — — US disclosed
EP-1572114-A2 GLYCOSYLCERAMIDE ANALOGUES BIOMIRA, INC. (CA) 2005-09-14 — — EP disclosed
WO-2004028475-A2 GLYCOSYLCERAMIDE ANALOGUES BIOMIRA, INC. (CA) 2004-04-08 — — 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-20060116331-A1 Glycosylceramide analogues UGCG, ASAH2, GBA2 TP53 520/4885CYP1A2 4249/4885CYP2D6 3239/4885

“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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