SCHEMBL25820039

SCHEMBL25820039

NNCCCc1cccc(OCCCCCOCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.52
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
MGLL Q99685 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
SLC2A1 P11166 1/20 0.41
MAOB P27338 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
CYP2D6 P10635 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
SCHEMBL25821885 0.96 BCHE (0.53) BCHETDP1L3MBTL1DRD2DRD4
SCHEMBL25822292 0.88 DRD4 (0.47) BCHETDP1L3MBTL1DRD2DRD4
SCHEMBL25820053 0.87 BCHE (0.52) BCHETDP1L3MBTL1DRD2DRD4
SCHEMBL25822267 0.87 DRD4 (0.48) BCHETDP1L3MBTL1DRD2DRD4
SCHEMBL2208231 0.85 TDP1 (0.51) BCHETDP1L3MBTL1MGLLCYP4F2
SCHEMBL25822248 0.84 DRD4 (0.48) BCHEDRD2DRD4DRD3MAOB
SCHEMBL2204637 0.84 CYP4F2 (0.50) BCHETDP1L3MBTL1MGLLCYP4F2
SCHEMBL25819946 0.83 BCHE (0.53) BCHETDP1L3MBTL1DRD2DRD4
SCHEMBL4568889 0.83 TDP1 (0.55) BCHETDP1L3MBTL1MGLLCYP4F2
SCHEMBL25821806 0.81 KDM4E (0.56) BCHEDRD2DRD4DRD3SLC2A1

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 BCHE 1649/4885TDP1 529/4885L3MBTL1 2438/4885

“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.