SCHEMBL808629

SCHEMBL808629

NC(=O)C=CCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
GLA P06280 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KEAP1 Q14145 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 2/20 0.40
HSP90AA1 P07900 1/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 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
SCHEMBL27451912 0.90 GAA (0.50) KDM4EGLAGAASMN1; SMN2ALDH1A1
SCHEMBL2978814 0.84 GLA (0.52) KDM4EGLAGAASMN1; SMN2ALDH1A1
SCHEMBL2978810 0.84 GLA (0.52) KDM4EGLAGAASMN1; SMN2ALDH1A1
SCHEMBL15710678 0.83 L3MBTL1 (0.48) SMN1; SMN2ALDH1A1LMNAHSP90AA1TSHR
SCHEMBL23074882 0.81 KDM4E (0.52) KDM4EGLAGAASMN1; SMN2ALDH1A1
SCHEMBL14854718 0.81 KDM4E (0.52) KDM4EGLAGAASMN1; SMN2ALDH1A1
SCHEMBL15710532 0.81 L3MBTL1 (0.52) SMN1; SMN2ALDH1A1LMNAHSP90AA1TSHR
SCHEMBL4332122 0.81 KDM4E (0.52) KDM4EGLAGAASMN1; SMN2ALDH1A1
SCHEMBL15710724 0.80 SIGMAR1 (0.45) SMN1; SMN2ALDH1A1TSHRKMT2AMEN1
SCHEMBL15710416 0.79 POLB (0.36) KDM4EGAASMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2016-09-08 US disclosed
US-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-05-22 US disclosed
US-8487018-B2 Heavy metal-free and anaerobically compostable vinyl halide compositions, articles and landfill biodegradation BIOTECH PRODUCTS, LLC (US) 2013-07-16 US disclosed
US-20110159766-A1 HEAVY METAL-FREE AND ANAEROBICALLY COMPOSTABLE VINYL HALIDE COMPOSITIONS, ARTICLES AND LANDFILL BIODEGRADATION BIOTECH PRODUCTS, LLC (US) 2011-06-30 US disclosed
US-7956101-B2 Anaerobically compostable polymeric compositions, articles and landfill biodegradation BIOTECH PRODUCTS, LLC (US) 2011-06-07 US disclosed
US-7939582-B2 Rendered compostable by prodegradant system of organotitanate or zirconate and organotin BIOTECH PRODUCTS, LLC (US) 2011-05-10 US disclosed
US-7902271-B2 Compostable vinyl halide polymer compositions, composites and landfill biodegradation BIOTECH PRODUCTS, LLC (US) 2011-03-08 US disclosed
US-20090275111-A1 Anaerobically Compostable Polymeric Compositions, Articles and Landfill Biodegradation BIOTECH PRODUCTS, LLC (US) 2009-11-05 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 (2 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-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK KDM4E 2028/4885GLA 4503/4885GAA 2623/4885
US-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK KDM4E 2028/4885GLA 4503/4885GAA 2623/4885

“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.