SCHEMBL6669460

SCHEMBL6669460

COC(=O)CC(=O)c1cc(Br)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
MAPT P10636 2/20 0.54
HSD17B10 Q99714 2/20 0.54
GFER P55789 1/20 0.54
POLB P06746 2/20 0.51
STAT3 P40763 1/20 0.50
KDM4E B2RXH2 4/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NPSR1 Q6W5P4 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL21582038 0.87 KDM4E (0.46) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL4528072 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL20855483 0.83 HMGCR (0.53) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL83056 0.83 HPGDS (0.55) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL20855508 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL15868148 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL30361998 0.80 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL392403 0.80 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL5478330 0.79 ACHE (0.51) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL1221627 0.79 POLB (0.63) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412327-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG Biomedical Institute (US) 2004-04-28 EP disclosed
US-20030208067-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-11-06 US disclosed
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-10-02 US disclosed
WO-2002096867-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG BIOMEDICAL INSTITUTE (US) 2002-12-05 WO 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 (2 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-20030208067-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 ALDH1A1 3678/4885SMN1; SMN2 2397/4885CYP1A2 2766/4885
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 ALDH1A1 3678/4885SMN1; SMN2 2397/4885CYP1A2 2766/4885

“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.