SCHEMBL3760044

SCHEMBL3760044

C=CCCCOc1cccc(CN)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAOB P27338 2/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
BCHE P06276 1/20 0.39
GLS O94925 1/20 0.38
PRSS1 P07477 2/20 0.38
MAPK1 P28482 1/20 0.38
PNMT P11086 1/20 0.38
ENPP2 Q13822 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL3766432 0.95 GLS (0.42) L3MBTL1ALDH1A1MAOBNOS1NOS2
SCHEMBL3759807 0.94 PRSS1 (0.42) ALDH1A1MAOBNOS1NOS2GLS
SCHEMBL3764561 0.94 PRSS1 (0.42) ALDH1A1MAOBNOS1NOS2GLS
SCHEMBL3766493 0.92 MAOB (0.43) MAOBNOS1NOS2BCHEGLS
SCHEMBL17138189 0.84 ALDH1A1 (0.51) L3MBTL1ALDH1A1PRSS1MAPK1KDM4E
SCHEMBL12408537 0.83 PRSS1 (0.51) ALDH1A1MAOBNOS1NOS2PRSS1
SCHEMBL3768879 0.81 KDM4E (0.49) ALDH1A1MAOBNOS1NOS2BCHE
SCHEMBL3770884 0.81 MAOB (0.43) L3MBTL1ALDH1A1MAOBNOS1NOS2
SCHEMBL3660582 0.80 PPARA (0.45) L3MBTL1ALDH1A1MAOBNOS1NOS2
SCHEMBL3770838 0.80 PPARA (0.48) L3MBTL1ALDH1A1MAOBMAPK1KDM4E

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-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHIEMCAL COMPANY LIMITED (JP) 2010-12-09 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-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME ATL3, NAT1, C5 L3MBTL1 40/4885ALDH1A1 2906/4885MAOB 667/4885

“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.