SCHEMBL19974890

SCHEMBL19974890

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 6/20 0.36
SLC1A2 P43004 6/20 0.36
SLC1A1 P43005 6/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ACACB O00763 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CNR2 P34972 5/20 0.32
CNR1 P21554 2/20 0.32
GSK3B P49841 2/20 0.32
HTR4 Q13639 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
SCHEMBL19975294 0.86 NPC1 (0.34) SLC1A3SLC1A2SLC1A1NPC1RAB9A
SCHEMBL21183564 0.82 CNR2 (0.33) NPC1RAB9AACACBTDP1CNR2
SCHEMBL19975017 0.82 TDP1 (0.37) SLC1A3SLC1A2SLC1A1NPC1RAB9A
SCHEMBL19975356 0.82 TDP1 (0.35) SLC1A3SLC1A2SLC1A1NPC1RAB9A
SCHEMBL21183542 0.77 TDP1 (0.40) SLC1A3SLC1A2SLC1A1TDP1
SCHEMBL21183509 0.75 KMT2A (0.34) NPC1RAB9AACACBTDP1CNR2
SCHEMBL19975024 0.75 KMT2A (0.36) SLC1A3SLC1A2SLC1A1NPC1RAB9A
SCHEMBL21176392 0.73 NPC1 (0.32) NPC1RAB9ATDP1HTR4
SCHEMBL19974878 0.72 EPHX1 (0.42) SLC1A3SLC1A2SLC1A1NPC1RAB9A
SCHEMBL19975218 0.71 CNR2 (0.35) NPC1RAB9AACACBTDP1CNR2

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 SLC1A3 3943/4885SLC1A2 4457/4885SLC1A1 3975/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C SLC1A3 4195/4885SLC1A2 4584/4885SLC1A1 4221/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C SLC1A3 3943/4885SLC1A2 4457/4885SLC1A1 3975/4885

“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.