SCHEMBL21176285

SCHEMBL21176285

O=C(NCC1CC1)C(O)CC1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
CTSD P07339 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NAMPT P43490 3/20 0.36
BACE1 P56817 1/20 0.33
EPHX2 P34913 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CCNT1 O60563 1/20 0.31
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
SCHEMBL9891788 0.77 BACE1 (0.41) TDP1CTSDNPC1RAB9ANAMPT
SCHEMBL21176215 0.75 TDP1 (0.36) TDP1CTSDNPC1RAB9ABACE1
SCHEMBL1711540 0.74 OR51E2 (0.36) CTSDALDH1A1
SCHEMBL1711544 0.74 OR51E2 (0.36) CTSDALDH1A1
SCHEMBL19974853 0.74 TDP1 (0.35) TDP1CTSDNPC1RAB9ANAMPT
SCHEMBL19975367 0.73 NPC1 (0.34) TDP1NPC1RAB9ANAMPTBACE1
SCHEMBL1711663 0.72 PIK3CD (0.33) CTSDKMT2AALDH1A1
SCHEMBL1711666 0.72 PIK3CD (0.33) CTSDKMT2AALDH1A1
SCHEMBL9956855 0.72 CYP2D6 (0.53) TDP1NPC1RAB9ANAMPTEPHX2
SCHEMBL19975024 0.72 KMT2A (0.36) TDP1CTSDNPC1RAB9ABACE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 922/4885NPC1 753/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C TDP1 1016/4885CTSD 922/4885NPC1 753/4885

“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.