SCHEMBL6314633

SCHEMBL6314633

COc1ccc(OC)c(C(=O)C2CCCCC2c2ccc(OC)c(OOP(=O)(O)O)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 2/20 0.38
CTSK P43235 1/20 0.38
PDE4B Q07343 11/20 0.37
PDE4A P27815 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6315313 0.94 MAPT (0.41) KDM1AMAPTKDM4ELMNANPSR1
SCHEMBL6313897 0.93 KDM1A (0.38) KDM1AMAPTKDM4ELMNANPSR1
SCHEMBL6323423 0.93 KDM1A (0.38) KDM1AMAPTKDM4ELMNANPSR1
SCHEMBL6314117 0.91 KDM1A (0.37) KDM1AMAPTKDM4ELMNANPSR1
SCHEMBL6314453 0.90 MAPT (0.43) KDM1AMAPTKDM4ELMNANPSR1
SCHEMBL6315331 0.87 MAPT (0.38) KDM1AMAPTKDM4ELMNANPSR1
SCHEMBL6315408 0.87 MAPT (0.38) KDM1AMAPTKDM4ELMNANPSR1
SCHEMBL6316452 0.87 MAPT (0.39) KDM1AMAPTKDM4ELMNANPSR1
SCHEMBL6322855 0.87 MAPT (0.39) KDM1AMAPTKDM4ELMNANPSR1
SCHEMBL6316373 0.85 MAPT (0.37) KDM1AMAPTKDM4ELMNANPSR1

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-6887904-B2 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-05-03 US disclosed
US-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2003-08-07 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-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof ABL1, MCL1, AHR KDM1A 1764/4885MAPT 4538/4885KDM4E 1243/4885

“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.