SCHEMBL7718808

SCHEMBL7718808

CN(C)CCOCCOCCC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRM3 P20309 1/20 0.42
CHRNA4 P43681 1/20 0.42
KDM4E B2RXH2 9/20 0.39
ALDH1A1 P00352 5/20 0.39
DNM1 Q05193 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL7719123 0.98 CHRM2 (0.43) CA12CA1CA2CA9CHRM2
SCHEMBL7719485 0.92 DNM1 (0.40) CA12CA1CA2CA9CHRM2
SCHEMBL7714294 0.86 CA12 (0.41) CA12CA1CA2CA9CHRM2
SCHEMBL8081020 0.84 LTA4H (0.41) CA12CA1CA2CA9CHRM2
SCHEMBL25769656 0.83 CA12 (0.44) CA12CA1CA2CA9CHRM2
SCHEMBL7719487 0.82 PAOX (0.41) CA12CA1CA2CA9CHRM2
SCHEMBL1655260 0.82 TP53 (0.35) KDM4EALDH1A1BLMPMP22HSD17B10
SCHEMBL22047244 0.82 TP53 (0.35) KDM4EALDH1A1BLMPMP22HSD17B10
SCHEMBL22047274 0.82 TP53 (0.35) KDM4EALDH1A1BLMPMP22HSD17B10
SCHEMBL29605420 0.82 TP53 (0.35) KDM4EALDH1A1BLMPMP22HSD17B10

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
US-20090137191-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC. 2009-05-28 US disclosed
US-20090137191-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC. 2009-05-28 US disclosed
US-6380274-B1 REACTING AN ORGANIC POLYISOCYANATE WITH A COMPOUND HAVING A REACTIVE HYDROGEN IN THE PRESENCE OF ALKOXY AMIDE COMPOUND AS CATALYST TO PRODUCE POLYURETHANE AIR PRODUCTS AND CHEMICALS, INC. 2002-04-30 US disclosed
US-6313346-B1 Catalyst compositions for the production of polyurethanes AIR PRODUCTS AND CHEMICALS, INC. 2001-11-06 US disclosed
EP-1038894-A2 New catalyst compositions for the production of polyurethanes AIR PRODUCTS AND CHEMICALS, INC. (US) 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-20090137191-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS PADI2, PADI4, PADI3 CA12 781/4885CA1 952/4885CA2 2808/4885

“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.