SCHEMBL25819726

SCHEMBL25819726

COC(=O)c1cc(CCCNN)cc(OCC2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.43
PARP15 Q460N3 4/20 0.43
SLC2A1 P11166 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
F2 P00734 1/20 0.38
ADAM17 P78536 1/20 0.37
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
GCK P35557 1/20 0.36
PPM1D O15297 1/20 0.36
WDR5 P61964 1/20 0.36

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
SCHEMBL25819727 0.90 PARP10 (0.41) PARP10PARP15SLC2A1THRATHRB
SCHEMBL29818738 0.89 PARP10 (0.44) PARP10PARP15SLC2A1THRATHRB
SCHEMBL2204386 0.89 PARP10 (0.44) PARP10PARP15SLC2A1THRATHRB
SCHEMBL4568839 0.88 PARP15 (0.42) PARP10PARP15SLC2A1THRATHRB
SCHEMBL25819702 0.77 KMT2A (0.44) SLC2A1
SCHEMBL2208665 0.76 KMT2A (0.37) PARP10PARP15THRATHRBF2
SCHEMBL10068795 0.76 WDR5 (0.44) PARP10PARP15PARP2F2ADORA2B
SCHEMBL17934005 0.76 CA12 (0.51) PARP10PARP15PARP2F2ADAM17
SCHEMBL10068809 0.75 PARP15 (0.49) PARP10PARP15PARP2F2
SCHEMBL21819200 0.75 WDR5 (0.43) PARP10PARP15PARP2F2ADORA2B

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 PARP10 1846/4885PARP15 2575/4885SLC2A1 891/4885

“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.