SCHEMBL1774288

SCHEMBL1774288

CCCN1C(=O)[C@H](O)[C@@H](O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GBA1 P04062 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 5/20 0.37
CYP19A1 P11511 3/20 0.36
CNR2 P34972 3/20 0.34
CNR1 P21554 1/20 0.34
GAA P10253 1/20 0.33
F2 P00734 1/20 0.32
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
CTRC Q99895 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
MGLL Q99685 1/20 0.31

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
SCHEMBL23697813 1.00 MEN1 (0.42) MEN1KMT2AGBA1SMN1; SMN2ALDH1A1
SCHEMBL10642740 0.82 PTGS1 (0.53) GBA1SMN1; SMN2CYP19A1CNR2CNR1
SCHEMBL12294332 0.79 F2 (0.48) MEN1KMT2AGBA1SMN1; SMN2ALDH1A1
SCHEMBL14668111 0.77 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1CYP19A1CNR2CNR1
SCHEMBL15821045 0.75 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1CYP19A1CNR2CNR1
SCHEMBL25090573 0.75 ALDH1A1 (0.39) MEN1KMT2AGBA1SMN1; SMN2ALDH1A1
SCHEMBL10684479 0.73 MGLL (0.61) GBA1CNR2CNR1CYP1A2CYP2C19
SCHEMBL10684472 0.73 MGLL (0.61) GBA1CNR2CNR1CYP1A2CYP2C19
SCHEMBL8295802 0.73 CYP19A1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1CYP19A1
SCHEMBL23697812 0.72 CYP19A1 (0.49) MEN1KMT2AGBA1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2325168-B1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND ADEKA CORP (JP) 2014-03-19 EP disclosed
US-8512597-B2 Polymerizable optically active imide compound and polymerizable composition containing the compound ADEKA CORPORATION (JP) 2013-08-20 US disclosed
EP-2325168-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND Adeka Corporation (JP) 2011-05-25 EP disclosed
US-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND ADEKA CORPORATION (JP) 2011-05-12 US 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-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND H1-4, XPO4, F12 MEN1 264/4885KMT2A 3009/4885GBA1 1623/4885

“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.