SCHEMBL6566658

SCHEMBL6566658

COC(=O)c1cc(N)ccc1OCc1ccc(C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.49
KDM4E B2RXH2 3/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
F2 P00734 1/20 0.44
F7 P08709 1/20 0.44
GAA P10253 2/20 0.43
GCGR P47871 2/20 0.43
BRD4 O60885 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL6564400 0.85 PDK2 (0.47) PDK2KDM4ERXRARXRBGCGR
SCHEMBL1316136 0.84 HPGD (0.51) KDM4EF2F7GAASMN1; SMN2
SCHEMBL6564646 0.82 RXRA (0.47) KDM4ERXRARXRBGAAFFAR4
SCHEMBL6566866 0.81 CYP19A1 (0.59) KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL6567623 0.78 MEN1 (0.52) KDM4EF2F7GAAGCGR
SCHEMBL6566502 0.78 MEN1 (0.60) KDM4EF2F7GAAMAPT
SCHEMBL24074336 0.77 ALDH1A1 (0.56) KDM4EGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL16550077 0.77 GAA (0.54) KDM4EGAAMAPTSMN1; SMN2CYP1A2
SCHEMBL17129585 0.76 MAPT (0.67) KDM4ERXRARXRBGCGRMAPT
SCHEMBL27820730 0.76 F2 (0.53) KDM4EF2F7SMN1; SMN2ALDH1A1

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 PDK2 2953/4885KDM4E 2962/4885RXRA 359/4885

“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.