SCHEMBL21787528

SCHEMBL21787528

CCC(CO)(CO)NCC(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.36
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
GABRR1 P24046 2/20 0.33
CYP1A2 P05177 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL12228330 0.90 APAF1 (0.39) APAF1FOLH1NAALAD2GABRR1CYP1A2
SCHEMBL21787593 0.83
SCHEMBL12227951 0.77 FOLH1 (0.37) FOLH1
SCHEMBL21787520 0.76 APAF1 (0.38) APAF1FOLH1NAALAD2GABRR1CYP1A2
SCHEMBL17266187 0.76 APAF1 (0.38) APAF1FOLH1NAALAD2GABRR1CYP1A2
SCHEMBL21093333 0.75 TDP1 (0.33)
SCHEMBL15905729 0.73 APAF1 (0.41) APAF1FOLH1NAALAD2GABRR1CYP1A2
SCHEMBL21787533 0.73 FFAR3 (0.35) CYP1A2ACE2CYP2D6
SCHEMBL116946 0.73 RAB9A (0.36)
SCHEMBL21787592 0.72

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 APAF1 1850/4885FOLH1 685/4885NAALAD2 1074/4885
US-20210246344-A1 Biological buffers with wide buffering ranges PEF1, SLC7A1, PLPBP APAF1 1886/4885FOLH1 714/4885NAALAD2 1122/4885

“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.