SCHEMBL19974732

SCHEMBL19974732

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
CTSD P07339 3/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EPHX1 P07099 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
BACE1 P56817 1/20 0.32
KMT2A Q03164 2/20 0.32
ACACB O00763 1/20 0.32
MEN1 O00255 1/20 0.32
LIPE Q05469 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
SCHEMBL19974970 0.97 TDP1 (0.39) TDP1CTSDSLC1A3SLC1A2SLC1A1
SCHEMBL19975024 0.95 KMT2A (0.36) TDP1CTSDSLC1A3SLC1A2SLC1A1
SCHEMBL19975298 0.87 EPHX1 (0.43) TDP1SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL19974856 0.86 KMT2A (0.40) TDP1SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL21183509 0.82 KMT2A (0.34) TDP1CTSDALDH1A1NPC1RAB9A
SCHEMBL19975218 0.80 CNR2 (0.35) TDP1CTSDSMN1; SMN2NPC1RAB9A
SCHEMBL19975356 0.78 TDP1 (0.35) TDP1CTSDSLC1A3SLC1A2SLC1A1
SCHEMBL19974829 0.76 TDP1 (0.40) TDP1CTSDALDH1A1EPHX1L3MBTL1
SCHEMBL19982704 0.76 ALDH1A1 (0.33) TDP1ALDH1A1NPC1RAB9A
SCHEMBL19975017 0.75 TDP1 (0.37) TDP1CTSDSLC1A3SLC1A2SLC1A1

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 1016/4885CTSD 922/4885SLC1A3 3943/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C TDP1 911/4885CTSD 1046/4885SLC1A3 4195/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C TDP1 1016/4885CTSD 922/4885SLC1A3 3943/4885

“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.