SCHEMBL7018461

SCHEMBL7018461

CCOC(=O)C(Cc1c[nH]c2ccc(Cc3ccc4[nH]cc(CC(NC(C)=O)(C(=O)OCC)C(=O)OCC)c4c3)cc12)(NC(C)=O)C(=O)OCC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
RECQL P46063 1/20 0.52
MAPK1 P28482 1/20 0.47
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRB1 P18505 1/20 0.46
GABRA3 P34903 1/20 0.46
KDM4E B2RXH2 3/20 0.42
PKM P14618 2/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
THRB P10828 3/20 0.41
THRA P10827 2/20 0.41
HTT P42858 1/20 0.40
NTRK1 P04629 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
HPGD P15428 2/20 0.39
BLM P54132 2/20 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
SCHEMBL7018227 0.96 ALDH1A1 (0.51) ALDH1A1RECQLMAPK1GABRA1GABRB2
SCHEMBL19766758 0.86 MTNR1A (0.56) ALDH1A1KDM4EMTNR1AMTNR1BCYP1A2
SCHEMBL13911074 0.84 ALDH1A1 (0.60) ALDH1A1RECQLMAPK1KDM4EPKM
SCHEMBL3944859 0.80 ALDH1A1 (0.49) ALDH1A1RECQLMAPK1KDM4EPKM
SCHEMBL7018382 0.79 ALDH1A1 (0.50) ALDH1A1RECQLMAPK1GABRA1GABRB2
SCHEMBL3944082 0.78 ALDH1A1 (0.49) ALDH1A1RECQLMAPK1KDM4EPKM
SCHEMBL3933759 0.76 ALDH1A1 (0.52) ALDH1A1RECQLMAPK1KDM4EPKM
SCHEMBL7019625 0.76 ALDH1A1 (0.49) ALDH1A1RECQLMAPK1GABRA1GABRB2
SCHEMBL17596482 0.75 ALDH1A1 (0.53) ALDH1A1RECQLMAPK1KDM4EPKM
SCHEMBL4640366 0.74 ALDH1A1 (0.46) ALDH1A1RECQLMAPK1KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1038863-B1 Substituted dimeric compounds, process for their preparation and pharmaceutical compositions thereof SERVIER LAB (FR) 2003-06-04 EP claimed
US-20020035114-A1 Substituted dimeric compounds LESIEUR DANIEL (FR) 2002-03-21 US claimed
US-6319930-B1 CONTAINING FUSED AROMATIC CARBO- OR HETEROCYCLIC RINGS AND AMIDE, THIOAMIDE, UREA OR THIOUREA GROUPS; USEFUL IN TREATING OR IN PREVENTING MELATONINERGIC DISORDERS. ADIR ET COMPAGNIE (FR) 2001-11-20 US claimed
US-6319930-B1 CONTAINING FUSED AROMATIC CARBO- OR HETEROCYCLIC RINGS AND AMIDE, THIOAMIDE, UREA OR THIOUREA GROUPS; USEFUL IN TREATING OR IN PREVENTING MELATONINERGIC DISORDERS. ADIR ET COMPAGNIE (FR) 2001-11-20 US disclosed
EP-1038863-A2 Substituted dimeric compounds, process for their preparation and pharmaceutical compositions thereof ADIR ET COMPAGNIE (FR) 2000-09-27 EP 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-20020035114-A1 Substituted dimeric compounds NR0B2, NR0B1, NR2C2 ALDH1A1 852/4885RECQL 2003/4885MAPK1 1700/4885

“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.