SCHEMBL6568096

SCHEMBL6568096

CC(C)(C)OC(=O)c1cc(N)ccc1OC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.33
TDO2 P48775 2/20 0.33
FPR2 P25090 2/20 0.33
SCN9A Q15858 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRA6 Q16445 1/20 0.33
P2RX3 P56373 1/20 0.33
NR1H2 P55055 1/20 0.32
ALOX5 P09917 1/20 0.32
HTR7 P34969 1/20 0.32
GAA P10253 2/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 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
SCHEMBL6567908 0.88 GRM6 (0.36) NR1H2ALOX5GAAALDH1A1SMN1; SMN2
SCHEMBL6566865 0.86 GAA (0.46) IDO1TDO2FPR2SCN9AALOX5
SCHEMBL6565793 0.84 CA12 (0.37) IDO1TDO2ALOX5GAAALDH1A1
SCHEMBL6565966 0.83 SMN1; SMN2 (0.45) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6564586 0.82 SLC6A4 (0.42) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6565987 0.82 ALDH1A1 (0.42) IDO1TDO2ALOX5GAAALDH1A1
SCHEMBL6564379 0.81 CFTR (0.47) GAAALDH1A1SMN1; SMN2HPGD
SCHEMBL6567602 0.81 HSPB1 (0.40) ALDH1A1KMT2ANR3C2
SCHEMBL6564692 0.81 ALOX5 (0.37) IDO1TDO2ALOX5ALDH1A1MEN1
SCHEMBL6564439 0.81 ALDH1A1 (0.43) GAAALDH1A1SMN1; SMN2MEN1KMT2A

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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 IDO1 953/4885TDO2 675/4885FPR2 573/4885

“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.