SCHEMBL6567908

SCHEMBL6567908

CC(C)(C)OC(=O)c1cc(N)ccc1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.36
SLC7A5 Q01650 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
KDR P35968 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
SLC6A2 P23975 1/20 0.35
PDE4A P27815 1/20 0.35
ADRA1A P35348 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
SRD5A2 P31213 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL6568096 0.88 IDO1 (0.33) ALDH1A1SMN1; SMN2ALOX5NR1H2GAA
SCHEMBL6564533 0.85 GAA (0.48) ALDH1A1CYP3A4MAPTKDRLMNA
SCHEMBL6565676 0.83 IRAK4 (0.39) ALDH1A1CYP3A4MAPTKDRLMNA
SCHEMBL6566700 0.82 ALDH1A1 (0.40) ALDH1A1CYP3A4MAPTKDRLMNA
SCHEMBL6566983 0.81 MAPT (0.39) ALDH1A1MAPTLMNASMN1; SMN2ALOX5
SCHEMBL6567911 0.81 MEN1 (0.44) ALDH1A1CYP3A4MAPTLMNATP53
SCHEMBL6564614 0.80 ALOX5 (0.38) ALDH1A1CYP3A4MAPTKDRLMNA
SCHEMBL6564586 0.79 SLC6A4 (0.42) ALDH1A1CYP3A4MAPTLMNASLC6A2
SCHEMBL6565805 0.79 ABL1 (0.44) ALDH1A1MAPTLMNASLC6A3GAA
SCHEMBL6564681 0.79 PPARA (0.41) ALDH1A1LMNASMN1; SMN2PTGDR2SRD5A2

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 GRM6 1159/4885SLC7A5 937/4885ALDH1A1 907/4885

“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.