SCHEMBL7039853

SCHEMBL7039853

CC=C(OC)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
GLO1 Q04760 1/20 0.45
GAA P10253 5/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP2D6 P10635 1/20 0.44
EGLN1 Q9GZT9 1/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.39
SOAT1 P35610 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL7101348 0.85 NPSR1 (0.48) NPSR1GLO1GAAMGAMSI
SCHEMBL7101351 0.85 NPSR1 (0.48) NPSR1GLO1GAAMGAMSI
SCHEMBL27588446 0.82 NPSR1 (0.42) NPSR1GLO1GAAMGAMSI
SCHEMBL20210964 0.82 NPSR1 (0.42) NPSR1GLO1GAAMGAMSI
SCHEMBL14304405 0.82 NPSR1 (0.42) NPSR1GLO1GAAMGAMSI
SCHEMBL30241757 0.81 GAA (0.44) NPSR1GLO1GAAMGAMSI
SCHEMBL12283185 0.80 NPSR1 (0.61) NPSR1GLO1GAAMGAMSI
SCHEMBL28991955 0.80 NPSR1 (0.41) NPSR1GLO1GAAMGAMSI
SCHEMBL11174724 0.79 NPSR1 (0.43) NPSR1GLO1GAAMGAMSI
SCHEMBL22574853 0.79 CYP2C9 (0.53) NPSR1GLO1GAAMGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106010319-A Adhesive sheet 琳得科株式会社 2016-10-12 CN disclosed
CN-101492589-A Antifouling paint composition MITSUBISHI RAYON CO (JP) 2009-07-29 CN disclosed
CN-100473698-C Antifouling coating composition MITSUBISHI RAYON CO (JP) 2009-04-01 CN disclosed
CN-1761727-A Antifouling coating composition MITSUBISHI RAYON CO (JP) 2006-04-19 CN disclosed
US-20030181515-A1 Methods of using kavalactone compositions KAVA PHARMACEUTICALS, INC., A DELAWARE CORPORATION 2003-09-25 US disclosed
US-20020192241-A1 Methods of using kavalactone compositions SYNTA PHARMACEUTICALS CORP. 2002-12-19 US disclosed
US-20020187169-A1 Kavalactone compositions SYNTA PHARMACEUTICALS CORP. 2002-12-12 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 (3 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-20020187169-A1 Kavalactone compositions KLK14, KLHL20, KLHL6 NPSR1 4537/4885GLO1 354/4885GAA 548/4885
US-20030181515-A1 Methods of using kavalactone compositions KHK, KLK4, KLK14 NPSR1 4379/4885GLO1 189/4885GAA 343/4885
US-20020192241-A1 Methods of using kavalactone compositions KHK, KLK4, KLK14 NPSR1 4379/4885GLO1 189/4885GAA 343/4885

“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.