SCHEMBL25824677

SCHEMBL25824677

CCOc1cccc(OCCCCOCc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
MAOB P27338 1/20 0.53
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 3/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 1/20 0.46
PLA2G4B P0C869 1/20 0.46
KCNA3 P22001 1/20 0.46
BCHE P06276 1/20 0.46

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
SCHEMBL4568925 0.91 MAOB (0.53) TSHRMAOBL3MBTL1TDP1PLA2G4B
SCHEMBL4568922 0.89 MAOB (0.51) TSHRMAOBL3MBTL1TDP1PLA2G4B
SCHEMBL4568917 0.88 MAOB (0.53) TSHRMAOBL3MBTL1TDP1PLA2G4B
SCHEMBL3968967 0.85 CYP4F2 (0.51) MAOBL3MBTL1CYP2D6TDP1PLA2G4B
SCHEMBL2207600 0.84 TAAR1 (0.55) MAOBL3MBTL1TDP1KCNA3
SCHEMBL29818962 0.84 TAAR1 (0.55) MAOBL3MBTL1TDP1KCNA3
SCHEMBL4568870 0.84 TDP1 (0.52) TSHRL3MBTL1CYP2D6TDP1PLA2G4B
SCHEMBL13881714 0.84 HTR1B (0.58) MAOBALDH1A1L3MBTL1TDP1KDM4E
SCHEMBL4249052 0.84 TDP1 (0.52) TSHRL3MBTL1CYP2D6TDP1PLA2G4B
SCHEMBL13434095 0.83 MAOB (0.73) MAOBBCHE

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 TSHR 2971/4885MAOB 332/4885ALDH1A1 133/4885

“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.