SCHEMBL22354570

SCHEMBL22354570

CCCC(=O)OC(COCCOCC(CN1CCOCC1)OC(=O)CCC)CN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TLR2 O60603 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
THRB P10828 3/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 2/20 0.38
ALOX15 P16050 1/20 0.37
THRA P10827 1/20 0.37

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
SCHEMBL23869628 0.95 TLR2 (0.38) ALDH1A1TLR2GAALMNASMN1; SMN2
SCHEMBL25587776 0.92 ALDH1A1 (0.43) ALDH1A1TLR2GAALMNASMN1; SMN2
SCHEMBL15014699 0.85 ALDH1A1 (0.45) ALDH1A1TLR2GAALMNASMN1; SMN2
SCHEMBL22354568 0.85 ALDH1A1 (0.40) ALDH1A1TLR2GAALMNASMN1; SMN2
SCHEMBL15025259 0.84 TLR2 (0.36) ALDH1A1TLR2GAALMNASMN1; SMN2
SCHEMBL15014701 0.80 TLR2 (0.35) ALDH1A1TLR2GAALMNASMN1; SMN2
SCHEMBL6836087 0.78 L3MBTL1 (0.56) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL18751405 0.76 GAA (0.47) ALDH1A1TLR2GAALMNASMN1; SMN2
SCHEMBL18751426 0.76 GAA (0.48) ALDH1A1TLR2GAALMNASMN1; SMN2
SCHEMBL18751406 0.76 GAA (0.48) ALDH1A1TLR2GAALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230131943-A1 ANTI-INFECTIVE AND ANTI-VIRAL COMPOUNDS AND COMPOSITIONS BURNET MICHEAL W (DE) 2023-04-27 US disclosed
US-20230131943-A1 ANTI-INFECTIVE AND ANTI-VIRAL COMPOUNDS AND COMPOSITIONS BURNET MICHEAL W (DE) 2023-04-27 US disclosed
WO-2021195126-A1 ANTI-INFECTIVE AND ANTI-VIRAL COMPOUNDS AND COMPOSITIONS BURNET MICHAEL W (DE) 2021-09-30 WO disclosed
US-20200262857-A1 NOVEL ANTI-INFECTIVE AND ANTI-INFLAMMATORY COMPOUNDS SYNOVO GMBH (DE) 2020-08-20 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-20230131943-A1 ANTI-INFECTIVE AND ANTI-VIRAL COMPOUNDS AND COMPOSITIONS CTSA, GAA, SLC7A5 ALDH1A1 3317/4885TLR2 778/4885GAA 2/4885
US-20200262857-A1 NOVEL ANTI-INFECTIVE AND ANTI-INFLAMMATORY COMPOUNDS CTSA, ALOX15, ALOX5 ALDH1A1 947/4885TLR2 328/4885GAA 6/4885

“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.