SCHEMBL3290653

SCHEMBL3290653

COc1cc(CC(O)CO)c(OCc2ccccc2)c2c1C1CCC2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
FAAH O00519 1/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
APP P05067 1/20 0.37
AGTR1 P30556 3/20 0.36
AGTR2 P50052 3/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
BCHE P06276 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36

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
SCHEMBL3290657 1.00 MGAM (0.38) MGAMGAASIMGAM2FAAH
SCHEMBL3290680 0.96 MGAM (0.39) MGAMGAASIMGAM2FAAH
SCHEMBL3292946 0.82 GAA (0.34) GAAFAAHCNR2KDM4EMEN1
SCHEMBL3292942 0.82 GAA (0.34) GAAFAAHCNR2KDM4EMEN1
SCHEMBL3289482 0.81 ALDH1A1 (0.43) GAAKDM4EL3MBTL1MEN1KMT2A
SCHEMBL3289486 0.81 ALDH1A1 (0.43) GAAKDM4EL3MBTL1MEN1KMT2A
SCHEMBL3290572 0.78 GAA (0.35) GAAKDM4EMEN1KMT2AHTT
SCHEMBL3290207 0.76 MGAM (0.45) MGAMGAASIMGAM2KDM4E
SCHEMBL3294950 0.76 ALDH1A1 (0.45) GAAKDM4EL3MBTL1MEN1KMT2A
SCHEMBL4225323 0.75 KDM4E (0.59) KDM4EL3MBTL1MEN1KMT2ABCHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728155-B2 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH LLC (US) 2010-06-01 US disclosed
US-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH (US) 2005-06-09 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-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents HTR2C, HTR1A, HTR1B MGAM 4421/4885GAA 1680/4885SI 2744/4885

“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.