SCHEMBL2889307

SCHEMBL2889307

CC(N)O.CCCCCCCC/C=C\CCCCCCCCN1CC(C(=O)O)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.41
MGLL Q99685 2/20 0.40
FAAH O00519 1/20 0.40
HTT P42858 1/20 0.39
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL1360713 0.93 POLB (0.49) POLBMEN1CYP2C19KMT2AL3MBTL1
SCHEMBL2890482 0.93 POLB (0.56) POLBMEN1CYP2C19KMT2AL3MBTL1
SCHEMBL688297 0.93 POLB (0.49) POLBMEN1CYP2C19KMT2AL3MBTL1
Glycerin SCHEMBL3844851 0.90 POLB (0.45) POLBMEN1CYP2C19KMT2AL3MBTL1
Monoethanolamine SCHEMBL2889305 0.89 L3MBTL1 (0.43) POLBMEN1CYP2C19KMT2AL3MBTL1
SCHEMBL8084223 0.85 POLB (0.56) POLBMEN1CYP2C19KMT2AL3MBTL1
SCHEMBL8084202 0.85 POLB (0.56) POLBMEN1CYP2C19KMT2AL3MBTL1
SCHEMBL15082405 0.85 POLB (0.56) POLBMEN1CYP2C19KMT2AL3MBTL1
SCHEMBL8076306 0.85 POLB (0.56) POLBMEN1CYP2C19KMT2AL3MBTL1
SCHEMBL119623 0.85 POLB (0.56) POLBMEN1CYP2C19KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349215-B2 Corrosion inhibitors having increased biological degradability and minimized toxicity CLARIANT FINANCE (BVI) LIMITED (VG) 2013-01-08 US disclosed
US-20120264611-A1 Pesticide Preparations Containing Derivatives Of Pyrrolidone-4-Carboxylic Acid CLARIANT FINANCE (BVI) LIMITED (VG) 2012-10-18 US disclosed
US-20100283010-A1 Corrosion Inhibitors Having Increased Biological Degradability And Minimized Toxicity CLARIANT FINANCE (BVI) LIMITED (VG) 2010-11-11 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 (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-20120264611-A1 Pesticide Preparations Containing Derivatives Of Pyrrolidone-4-Carboxylic Acid DDT, HPD, AGPS POLB 3374/4885MEN1 3937/4885CYP2C19 945/4885

“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.