SCHEMBL4051818

SCHEMBL4051818

CCOC=C(COCC)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.39
GLO1 Q04760 1/20 0.39
ALDH1A1 P00352 5/20 0.36
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 3/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP2C9 P11712 2/20 0.33
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
THRB P10828 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SOAT1 P35610 1/20 0.33
MAPT P10636 3/20 0.32

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
SCHEMBL30788574 1.00 NPSR1 (0.39) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL15424206 1.00 NPSR1 (0.39) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL1985647 0.84 NPSR1 (0.39) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL1284863 0.84 NPSR1 (0.39) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL28450802 0.83 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL12737271 0.83 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL5531263 0.83 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL16142566 0.82 ALDH1A1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL11922828 0.82 NPSR1 (0.38) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL9923083 0.82 NPSR1 (0.38) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2

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
WO-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 WO disclosed
EP-2035434-A1 QUINOLINE DERIVATIVES, THEIR PREPARATION, THEIR USE, AND MEDICAMENTS COMPRISING THEM Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 EP disclosed
US-20080056987-A1 Quinoline derivatives, their preparation, their use, and medicaments comprising them BAYER SCHERING PHARMA AG (DE) 2008-03-06 US disclosed
WO-2007147578-A1 QUINOLINE DERIVATIVES, THEIR PREPARATION, THEIR USE, AND MEDICAMENTS COMPRISING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 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-20080056987-A1 Quinoline derivatives, their preparation, their use, and medicaments comprising them RECQL, NQO2, XDH NPSR1 542/4885GLO1 3097/4885ALDH1A1 1363/4885

“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.