SCHEMBL19975356

SCHEMBL19975356

CC(OCC1CCOCC1)C(=O)C(=O)NCC1CCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
SLC1A3 P43003 4/20 0.35
SLC1A2 P43004 4/20 0.35
SLC1A1 P43005 4/20 0.35
CTSD P07339 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ACACB O00763 1/20 0.33
EPHX1 P07099 3/20 0.33
LIPE Q05469 1/20 0.32
EPHX2 P34913 1/20 0.32
GSK3B P49841 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR2 P34972 1/20 0.32
HTR4 Q13639 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31

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
SCHEMBL19975017 0.97 TDP1 (0.37) TDP1SLC1A3SLC1A2SLC1A1CTSD
SCHEMBL19975294 0.95 NPC1 (0.34) TDP1SLC1A3SLC1A2SLC1A1NPC1
SCHEMBL19974878 0.86 EPHX1 (0.42) TDP1SLC1A3SLC1A2SLC1A1NPC1
SCHEMBL21183542 0.86 TDP1 (0.40) TDP1SLC1A3SLC1A2SLC1A1EPHX1
SCHEMBL19974890 0.82 SLC1A3 (0.36) TDP1SLC1A3SLC1A2SLC1A1NPC1
SCHEMBL21183564 0.80 CNR2 (0.33) TDP1CTSDNPC1RAB9AACACB
SCHEMBL19974732 0.78 TDP1 (0.37) TDP1SLC1A3SLC1A2SLC1A1CTSD
SCHEMBL19974970 0.75 TDP1 (0.39) TDP1SLC1A3SLC1A2SLC1A1CTSD
SCHEMBL19974974 0.72 EPHX1 (0.42) TDP1NPC1RAB9AEPHX1LIPE
SCHEMBL2257790 0.72 IRAK4 (0.38) SLC1A3SLC1A2SLC1A1CTSDACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 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 (3 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C TDP1 1016/4885SLC1A3 3943/4885SLC1A2 4457/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C TDP1 911/4885SLC1A3 4195/4885SLC1A2 4584/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C TDP1 1016/4885SLC1A3 3943/4885SLC1A2 4457/4885

“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.