SCHEMBL19974970

SCHEMBL19974970

CC(OCC1CCOCC1)C(O)C(=O)NCC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
CTSD P07339 2/20 0.37
EPHX1 P07099 3/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC1A3 P43003 3/20 0.34
SLC1A2 P43004 3/20 0.34
SLC1A1 P43005 3/20 0.34
EPHX2 P34913 1/20 0.34
LIPE Q05469 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL19974732 0.97 TDP1 (0.37) TDP1CTSDEPHX1ALDH1A1L3MBTL1
SCHEMBL19975024 0.95 KMT2A (0.36) TDP1CTSDKMT2ASLC1A3SLC1A2
SCHEMBL19975298 0.89 EPHX1 (0.43) TDP1EPHX1ALDH1A1L3MBTL1TSHR
SCHEMBL19974856 0.86 KMT2A (0.40) TDP1EPHX1ALDH1A1L3MBTL1TSHR
SCHEMBL21183509 0.82 KMT2A (0.34) TDP1CTSDALDH1A1KMT2A
SCHEMBL19975218 0.80 CNR2 (0.35) TDP1CTSDSMN1; SMN2KMT2A
SCHEMBL19974829 0.79 TDP1 (0.40) TDP1CTSDEPHX1ALDH1A1L3MBTL1
SCHEMBL19975017 0.78 TDP1 (0.37) TDP1CTSDEPHX1ALDH1A1L3MBTL1
SCHEMBL19982704 0.76 ALDH1A1 (0.33) TDP1ALDH1A1
SCHEMBL19975356 0.75 TDP1 (0.35) TDP1CTSDEPHX1L3MBTL1SLC1A3

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 922/4885EPHX1 372/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C TDP1 911/4885CTSD 1046/4885EPHX1 449/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C TDP1 1016/4885CTSD 922/4885EPHX1 372/4885

“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.