SCHEMBL25822271

SCHEMBL25822271

NNCCOc1cccc(OCCOCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
DRD4 P21917 2/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
MAOB P27338 3/20 0.46
HTR1A P08908 1/20 0.46
BCHE P06276 2/20 0.44
TSHR P16473 1/20 0.44
SPHK2 Q9NRA0 2/20 0.43
GAA P10253 1/20 0.43
SPHK1 Q9NYA1 1/20 0.42

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
SCHEMBL25822267 0.93 DRD4 (0.48) ADRA1DADRA1AADRA1BDRD4DRD2
SCHEMBL25822248 0.93 DRD4 (0.48) ADRA1DADRA1AADRA1BDRD4DRD2
SCHEMBL25822292 0.92 DRD4 (0.47) ADRA1DADRA1AADRA1BDRD4DRD2
SCHEMBL16594348 0.86 MAOB (0.56) ADRA1DADRA1AADRA1BDRD4DRD2
SCHEMBL19291498 0.85 HTR1B (0.60) ADRA1DADRA1AADRA1BDRD4DRD2
SCHEMBL25822204 0.83 GAA (0.54) ADRA1DADRA1AADRA1BDRD4DRD2
SCHEMBL29818753 0.83 TAAR1 (0.56) MAOBBCHETSHRSPHK2
SCHEMBL2204438 0.83 TAAR1 (0.56) MAOBBCHETSHRSPHK2
SCHEMBL25822235 0.82 DRD4 (0.59) ADRA1DADRA1AADRA1BDRD4DRD2
SCHEMBL25821885 0.81 BCHE (0.53) ADRA1DADRA1AADRA1BDRD4DRD2

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 ADRA1D 409/4885ADRA1A 1026/4885ADRA1B 786/4885

“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.