SCHEMBL6555693

SCHEMBL6555693

COc1ccc2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3)oc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.76
ABCB1 P08183 3/20 0.76
MAOB P27338 4/20 0.72
CSNK2A2 P19784 2/20 0.70
CSNK2B P67870 2/20 0.70
CSNK2A1 P68400 2/20 0.70
TNKS O95271 2/20 0.68
CYP19A1 P11511 1/20 0.68
ALDH1A1 P00352 3/20 0.67
CYP3A4 P08684 3/20 0.67
KDM4E B2RXH2 2/20 0.67
HPGD P15428 2/20 0.67
HSD17B10 Q99714 2/20 0.67
USP2 O75604 1/20 0.67
MAPK1 P28482 1/20 0.67
RECQL P46063 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
TP53 P04637 2/20 0.65

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
SCHEMBL4399496 0.86 PABPC1 (1.00) PABPC1ABCB1MAOBCSNK2A2CSNK2B
7,3',4'-Trimethoxyflavone SCHEMBL987112 0.86 ABCB1 (1.00) ABCB1MAOBCSNK2A2CSNK2BCSNK2A1
SCHEMBL4411697 0.85 PABPC1 (0.64) PABPC1ABCB1MAOBCSNK2A2CSNK2B
SCHEMBL9528168 0.84 LCK (0.78) PABPC1ABCB1MAOBCSNK2A2CSNK2B
SCHEMBL4405490 0.84 PABPC1 (0.63) PABPC1ABCB1MAOBCSNK2A2CSNK2B
4,7-Dimethoxyflavone SCHEMBL3470601 0.84 MAOB (1.00) ABCB1MAOBCSNK2A2CSNK2BCSNK2A1
SCHEMBL4414243 0.83 PABPC1 (0.60) PABPC1ABCB1MAOBCSNK2A2CSNK2B
SCHEMBL3691018 0.82 MAOB (0.69) ABCB1MAOBCSNK2A2CSNK2BCSNK2A1
SCHEMBL14146408 0.82 ALDH1A1 (0.66) PABPC1ABCB1MAOBCSNK2A2CSNK2B
7-Methoxyflavone SCHEMBL1373009 0.81 TNKS (1.00) ABCB1MAOBTNKSCYP19A1ALDH1A1

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
EP-1489142-A1 Cationic dyes, method for the production thereof and colourants containing said compounds Wella Aktiengesellschaft (DE) 2004-12-22 EP disclosed
US-20040039202-A1 Cationic dyes, method for the production thereof, and colouring agents containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-02-26 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-20040039202-A1 Cationic dyes, method for the production thereof, and colouring agents containing said compounds TYR, MPO, NISCH PABPC1 2759/4885ABCB1 493/4885MAOB 104/4885

“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.