SCHEMBL19975294

SCHEMBL19975294

CC(OCC1CCOCC1)C(=O)C(=O)NCC1CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
ACACB O00763 1/20 0.34
GSK3B P49841 4/20 0.33
CNR2 P34972 3/20 0.32
HTR4 Q13639 1/20 0.32
ALOX15 P16050 1/20 0.32
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.32

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 0.95 TDP1 (0.37) NPC1RAB9ATDP1ACACBSLC1A3
SCHEMBL19975356 0.95 TDP1 (0.35) NPC1RAB9ATDP1ACACBGSK3B
SCHEMBL21183542 0.91 TDP1 (0.40) TDP1ALOX15SLC1A3SLC1A2SLC1A1
SCHEMBL19974890 0.86 SLC1A3 (0.36) NPC1RAB9ATDP1ACACBGSK3B
SCHEMBL19974878 0.86 EPHX1 (0.42) NPC1RAB9ATDP1SLC1A3SLC1A2
SCHEMBL21183564 0.84 CNR2 (0.33) NPC1RAB9ATDP1ACACBGSK3B
SCHEMBL19975024 0.77 KMT2A (0.36) NPC1RAB9ATDP1ACACBGSK3B
SCHEMBL19975308 0.75 KMT2A (0.39) TDP1CNR2ALOX15KMT2AKCNH2
SCHEMBL21183509 0.75 KMT2A (0.34) NPC1RAB9ATDP1ACACBGSK3B
SCHEMBL2257790 0.74 IRAK4 (0.38) ACACBCNR2SLC1A3SLC1A2SLC1A1

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 NPC1 753/4885RAB9A 1576/4885TDP1 1016/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C NPC1 1213/4885RAB9A 1334/4885TDP1 911/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C NPC1 753/4885RAB9A 1576/4885TDP1 1016/4885

“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.