SCHEMBL19975024

SCHEMBL19975024

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ACACB O00763 1/20 0.33
BACE1 P56817 1/20 0.33
CTSD P07339 2/20 0.33
GSK3B P49841 3/20 0.32
CNR2 P34972 3/20 0.32
HTR4 Q13639 1/20 0.32
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 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
SCHEMBL19974970 0.95 TDP1 (0.39) KMT2ATDP1CTSDSLC1A3SLC1A2
SCHEMBL19974732 0.95 TDP1 (0.37) KMT2ANPC1RAB9ATDP1ACACB
SCHEMBL19974856 0.92 KMT2A (0.40) KMT2ATDP1SLC1A3SLC1A2SLC1A1
SCHEMBL21183509 0.87 KMT2A (0.34) KMT2ANPC1RAB9ATDP1ACACB
SCHEMBL19975298 0.86 EPHX1 (0.43) KMT2ATDP1SLC1A3SLC1A2SLC1A1
SCHEMBL19975218 0.85 CNR2 (0.35) KMT2ANPC1RAB9ATDP1ACACB
SCHEMBL19982704 0.81 ALDH1A1 (0.33) NPC1RAB9ATDP1CNR2
SCHEMBL21176215 0.79 TDP1 (0.36) KMT2ANPC1RAB9ATDP1BACE1
SCHEMBL19975367 0.77 NPC1 (0.34) KMT2ANPC1RAB9ATDP1BACE1
SCHEMBL19975294 0.77 NPC1 (0.34) KMT2ANPC1RAB9ATDP1ACACB

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 KMT2A 4031/4885NPC1 753/4885RAB9A 1576/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C KMT2A 4177/4885NPC1 1213/4885RAB9A 1334/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C KMT2A 4031/4885NPC1 753/4885RAB9A 1576/4885

“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.