SCHEMBL25822292

SCHEMBL25822292

NNCCOc1cccc(OCCCCCOCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.47
DRD2 P14416 4/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
DRD3 P35462 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 2/20 0.44
HTR1A P08908 1/20 0.43
BCHE P06276 3/20 0.43
KDM4E B2RXH2 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 0.99 DRD4 (0.48) DRD4DRD2ADRA1DADRA1AADRA1B
SCHEMBL25822248 0.96 DRD4 (0.48) DRD4DRD2ADRA1DADRA1AADRA1B
SCHEMBL25822271 0.92 ADRA1D (0.49) DRD4DRD2ADRA1DADRA1AADRA1B
SCHEMBL25820039 0.88 BCHE (0.52) DRD4DRD2ADRA1DADRA1AADRA1B
SCHEMBL25822293 0.86 HTR1B (0.57) DRD4DRD2ADRA1DADRA1AADRA1B
SCHEMBL13881714 0.84 HTR1B (0.58) DRD4DRD2ADRA1DADRA1AADRA1B
SCHEMBL29818742 0.84 TAAR1 (0.53) TDP1L3MBTL1MAOB
SCHEMBL2207512 0.84 TAAR1 (0.53) TDP1L3MBTL1MAOB
SCHEMBL25821885 0.84 BCHE (0.53) DRD4DRD2ADRA1DADRA1AADRA1B
SCHEMBL2207600 0.82 TAAR1 (0.55) TDP1L3MBTL1MAOB

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 DRD4 1241/4885DRD2 1703/4885ADRA1D 409/4885

“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.