SCHEMBL6315424

SCHEMBL6315424

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 3/20 0.37
EGFR P00533 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL6323162 0.93 LMNA (0.37) SLC9A1MAPTHTTNPSR1KDM4E
SCHEMBL6314713 0.90 MAPT (0.35) SLC9A1MAPTHTTNPSR1KDM4E
SCHEMBL6320119 0.89 MAPT (0.38) SLC9A1MAPTHTTNPSR1KDM4E
SCHEMBL7127522 0.83 MAPT (0.49) SLC9A1MAPTHTTNPSR1KDM4E
SCHEMBL6316898 0.82 ACHE (0.36) SLC9A1MAPTHTTLMNAALDH1A1
SCHEMBL6322848 0.82 POLB (0.38) MAPTHTTNPSR1KDM4ELMNA
SCHEMBL6860112 0.81 MAPT (0.45) SLC9A1MAPTHTTNPSR1KDM4E
SCHEMBL6314453 0.81 MAPT (0.43) SLC9A1MAPTHTTNPSR1KDM4E
SCHEMBL6853300 0.80 ALDH1A1 (0.46) SLC9A1MAPTHTTNPSR1KDM4E
SCHEMBL6317883 0.80 MAPT (0.35) MAPTHTTNPSR1KDM4ELMNA

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 SLC9A1 4763/4885MAPT 4538/4885HTT 2064/4885

“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.