SCHEMBL831143

SCHEMBL831143

C=C(C)C(=O)OCCN(C)C.C=CC(=O)NCCN(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
TSHR P16473 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRM3 P20309 1/20 0.38
CHRNA4 P43681 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
TGM2 P21980 2/20 0.34
BCHE P06276 1/20 0.34
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
DNM1 Q05193 2/20 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
SCHEMBL9063834 0.92 ZDHHC20 (0.42) THRBTSHRALDH1A1MAPK1TDP1
SCHEMBL8079136 0.86 TSHR (0.42) THRBTSHRALDH1A1MAPK1TDP1
SCHEMBL17522107 0.83 TSHR (0.39) THRBTSHRALDH1A1MAPK1TDP1
SCHEMBL29263179 0.83 THRB (0.46) THRBTSHRALDH1A1TDP1CHRM2
SCHEMBL3818410 0.83 THRB (0.46) THRBTSHRALDH1A1MAPK1TDP1
SCHEMBL20723256 0.82 TSHR (0.50) THRBTSHRALDH1A1MAPK1TDP1
SCHEMBL17522072 0.82 ZDHHC20 (0.43) THRBTSHRALDH1A1MAPK1TDP1
Acrylic Acid SCHEMBL1942618 0.82 THRB (0.44) THRBTSHRALDH1A1TDP1CHRM2
Methacrylic Acid SCHEMBL28850506 0.82 ALDH1A1 (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
Butadiene SCHEMBL29263181 0.81 THRB (0.47) THRBTSHRALDH1A1TDP1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1518870-B1 SEPARATING MATERIAL GAMBRO LUNDIA AB (SE) 2018-11-28 EP disclosed
EP-2261271-B1 SEPARATION MATERIAL GAMBRO LUNDIA AB (SE) 2014-04-30 EP disclosed
US-8303819-B2 Separation material GAMBRO LUNDIA AB (SE) 2012-11-06 US disclosed
US-20120160771-A1 Separation Material GAMBRO LUNDIA AB (SE) 2012-06-28 US disclosed
US-8142844-B2 Separating material GAMBRO LUNDIA AB (SE) 2012-03-27 US disclosed
EP-2261271-A1 Separation material Gambro Lundia AB (SE) 2010-12-15 EP disclosed
US-20060264355-A1 Separating material GAMBRO LUNDIA AB 2006-11-23 US disclosed
EP-1518870-A1 Separating material Gambro Lundia AB (SE) 2005-03-30 EP disclosed
WO-2005026224-A1 SEPARATING MATERIAL GAMBRO LUNDIA AB (SE) 2005-03-24 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-20060264355-A1 Separating material ILK, PCNA, HLA-B THRB 4877/4885TSHR 4880/4885ALDH1A1 308/4885

“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.