SCHEMBL6564614

SCHEMBL6564614

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 4/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
SRD5A2 P31213 1/20 0.35
RORC P51449 2/20 0.35
MCL1 Q07820 2/20 0.35
BCL2 P10415 1/20 0.35
MEN1 O00255 2/20 0.35
THRB P10828 2/20 0.35
RECQL P46063 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 2/20 0.35
KDR P35968 2/20 0.35
HIF1A Q16665 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
SCHEMBL6564692 0.86 ALOX5 (0.37) ALOX5ALDH1A1IRAK4MEN1KMT2A
SCHEMBL6566700 0.86 ALDH1A1 (0.40) ALOX5ALDH1A1IRAK4PTGDR2SRD5A2
SCHEMBL6565676 0.84 IRAK4 (0.39) ALOX5ALDH1A1IRAK4MEN1KMT2A
SCHEMBL6564533 0.83 GAA (0.48) ALOX5ALDH1A1PPARAMEN1KMT2A
SCHEMBL6564681 0.82 PPARA (0.41) ALOX5ALDH1A1PPARGPPARAPTGDR2
SCHEMBL6567908 0.80 GRM6 (0.36) ALOX5ALDH1A1IRAK4PTGDR2SRD5A2
SCHEMBL6564823 0.80 LTB4R (0.38) ALDH1A1PPARGPPARAPTGDR2MEN1
SCHEMBL6565654 0.79 MEN1 (0.49) ALDH1A1PTGDR2MEN1KMT2AMAPT
SCHEMBL6566983 0.79 MAPT (0.39) ALOX5ALDH1A1MEN1KMT2AMAPT
SCHEMBL6709212 0.78 IDO1 (0.45) ALDH1A1PPARGPPARASRD5A2MCL1

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 ALOX5 858/4885ALDH1A1 907/4885IRAK4 2217/4885

“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.