SCHEMBL4569034

SCHEMBL4569034

CCCOc1cccc(OCOCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.53
KMT2A Q03164 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.48
CYSLTR1 Q9Y271 1/20 0.48
TSHR P16473 1/20 0.46
BCHE P06276 2/20 0.46
PLA2G4B P0C869 1/20 0.46
KAT6A Q92794 1/20 0.45
LTA4H P09960 1/20 0.45
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LCK P06239 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL4568916 0.89 MAOB (0.54) MAOBKMT2AGPBAR1CYSLTR1TSHR
SCHEMBL4568925 0.88 MAOB (0.53) MAOBKMT2AGPBAR1CYSLTR1TSHR
SCHEMBL4568917 0.88 MAOB (0.53) MAOBKMT2AGPBAR1CYSLTR1TSHR
SCHEMBL4568938 0.87 MAOB (0.69) MAOBKMT2AGPBAR1CYSLTR1BCHE
SCHEMBL4568922 0.86 MAOB (0.51) MAOBKMT2AGPBAR1CYSLTR1TSHR
SCHEMBL10796629 0.83 KMT2A (0.61) KMT2AGPBAR1CYSLTR1TSHRPLA2G4B
SCHEMBL12703452 0.82 KDM4E (0.48) MAOBKMT2AGPBAR1CYSLTR1TSHR
SCHEMBL14448286 0.82 KDM4E (0.48) MAOBKMT2AGPBAR1CYSLTR1TSHR
SCHEMBL3158759 0.81 TSHR (0.64) MAOBTSHRBCHELMNAL3MBTL1
SCHEMBL4568905 0.80 KMT2A (0.54) MAOBKMT2AGPBAR1CYSLTR1

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-20120122938-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-17 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-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER MAOB 318/4885KMT2A 3103/4885GPBAR1 294/4885

“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.