SCHEMBL6314713

SCHEMBL6314713

COc1ccc(OC)c(C(=O)C2C(c3ccc(N(C)C)c(OOP(=O)(O)O)c3)C2(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC9A1 P19634 1/20 0.35
TUBB1 Q9H4B7 1/20 0.34
ALDH1A1 P00352 3/20 0.33
EGFR P00533 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP2C9 P11712 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL6315424 0.90 SLC9A1 (0.40) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL6317883 0.90 MAPT (0.35) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL6323162 0.88 LMNA (0.37) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL7116814 0.83 MAPT (0.42) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL6315215 0.83 MAPT (0.39) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL6320909 0.83 ALDH1A1 (0.36) MAPTLMNAHTTTUBB1ALDH1A1
SCHEMBL6323366 0.82 SLC9A1 (0.40) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL6316373 0.81 MAPT (0.37) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL6314117 0.80 KDM1A (0.37) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL6320119 0.80 MAPT (0.38) MAPTLMNAKDM4EHTTNPSR1

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 MAPT 4538/4885LMNA 3280/4885KDM4E 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.