SCHEMBL21787595

SCHEMBL21787595

CC(CN(CCO)CCO)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GABRR1 P24046 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL8859116 0.80 GABRR1 (0.43) KDM4EMAPTALOX15SMN1; SMN2ALDH1A1
SCHEMBL9033183 0.77 KMT2A (0.34) MAPTALOX15CA12CA1CA2
SCHEMBL726708 0.72 MAPT (0.35) KDM4EMAPTALDH1A1
SCHEMBL4329451 0.72 MAPT (0.35) KDM4EMAPTALDH1A1
SCHEMBL16013532 0.72
SCHEMBL8756230 0.71 ALDH1A1 (0.34) KDM4EALDH1A1
SCHEMBL339998 0.71 MAPT (0.45) KDM4EMAPTALOX15SMN1; SMN2ALDH1A1
Trolamine SCHEMBL14990729 0.70 KDM4E (0.44) KDM4EMAPTALOX15SMN1; SMN2ALDH1A1
Trolamine SCHEMBL1054050 0.70 SLC7A5 (0.41) KDM4EMAPTALOX15SMN1; SMN2GABRR1
Trolamine SCHEMBL1054048 0.70 SLC7A5 (0.41) KDM4EMAPTALOX15SMN1; SMN2GABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246344-A1 Biological buffers with wide buffering ranges DALY THOMAS (US) 2021-08-12 US disclosed
US-20200071582-A1 Biological Buffers with Wide Buffering Ranges TPAT IP LLC 2020-03-05 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-20200071582-A1 Biological Buffers with Wide Buffering Ranges PEF1, SLC7A1, PLPBP KDM4E 2858/4885MAPT 2799/4885ALOX15 3813/4885
US-20210246344-A1 Biological buffers with wide buffering ranges PEF1, SLC7A1, PLPBP KDM4E 2827/4885MAPT 2834/4885ALOX15 3788/4885

“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.