SCHEMBL4835948

SCHEMBL4835948

CCOC(=O)C1=NN(c2cccc3ccccc23)C(C(=O)OCC)=NN1c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.51
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 2/20 0.48
HCRTR1 O43613 1/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
CDC25A P30304 1/20 0.48
CDC25C P30307 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.46
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45
CASP3 P42574 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL4832410 0.94 GAA (0.48) CDC25BMAPTSMN1; SMN2MAPK1RAB9A
SCHEMBL14269199 0.76 GAA (0.61) MAPTSMN1; SMN2RAB9ATP53ALDH1A1
SCHEMBL28216149 0.75 KMT2A (0.52) CDC25BMAPTSMN1; SMN2MAPK1TP53
SCHEMBL6312871 0.74 ALDH1A1 (0.56) CDC25BMAPTSMN1; SMN2RAB9ATP53
SCHEMBL3265630 0.73 MAPT (0.64) CDC25BMAPTSMN1; SMN2MAPK1RAB9A
SCHEMBL859755 0.73 CDC25B (0.52) CDC25BMAPTSMN1; SMN2RAB9ATP53
SCHEMBL10463769 0.73 ALDH1A1 (0.54) CDC25BMAPTSMN1; SMN2MAPK1RAB9A
SCHEMBL277672 0.72 CDC25B (0.82) CDC25BMAPTRAB9ACDC25ACDC25C
SCHEMBL1355820 0.72 ALDH1A1 (0.66) CDC25BMAPTSMN1; SMN2RAB9ATP53
SCHEMBL31117114 0.72 ALDH1A1 (0.66) CDC25BMAPTSMN1; SMN2RAB9ATP53

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-7329651-B2 Cannabimimetic ligands UNIVERSITY OF CONNECTICUT (US) 2008-02-12 US disclosed
US-20040077649-A1 Novel cannabimimetic ligands CONNECTICUT, UNIVERSITY OF 2004-04-22 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-20040077649-A1 Novel cannabimimetic ligands CNR2, CNR1, GPR18 CDC25B 3243/4885MAPT 3645/4885SMN1; SMN2 2671/4885

“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.