SCHEMBL25817331

SCHEMBL25817331

NCCC(=O)c1cccc(OC[C@H]2CC[C@@H](O)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.51
PARP15 Q460N3 4/20 0.46
PARP10 Q53GL7 4/20 0.46
PARP2 Q9UGN5 2/20 0.46
FABP1 P07148 1/20 0.44
KAT6A Q92794 1/20 0.43
LRRK2 Q5S007 1/20 0.42
CHEK2 O96017 1/20 0.41
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41

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
SCHEMBL13881738 0.90 PARP10 (0.52) NR1H4PARP15PARP10PARP2KAT6A
SCHEMBL23115168 0.90 PARP10 (0.52) NR1H4PARP15PARP10PARP2KAT6A
SCHEMBL29818710 0.88 KAT6A (0.53) NR1H4PARP15PARP10PARP2KAT6A
SCHEMBL2208791 0.88 KAT6A (0.53) NR1H4PARP15PARP10PARP2KAT6A
SCHEMBL2205674 0.88 KAT6A (0.53) NR1H4PARP15PARP10PARP2KAT6A
SCHEMBL13749857 0.85 NR1H4 (0.56) NR1H4PARP15PARP10PARP2FABP1
SCHEMBL12952750 0.84 NR1H4 (0.69) NR1H4PARP15PARP10PARP2FABP1
SCHEMBL22779392 0.83 NR1H4 (0.54) NR1H4PARP15PARP10PARP2FABP1
SCHEMBL956474 0.83 NR1H4 (0.57) NR1H4PARP15PARP10PARP2FABP1
SCHEMBL2205755 0.81 NR1H4 (0.43) NR1H4FABP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 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 (1 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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER NR1H4 1836/4885PARP15 2575/4885PARP10 1846/4885

“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.