SCHEMBL6567944

SCHEMBL6567944

COC(=O)c1cc(NC(=O)NCCCOC(C)C)ccc1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.52
PAX8 Q06710 1/20 0.48
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
C5 P01031 2/20 0.41
ESRRA P11474 2/20 0.41
PTPN1 P18031 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6567665 0.88 CASR (0.56) CASRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6566675 0.87 CASR (0.57) CASRALDH1A1MEN1KMT2AKDM4E
SCHEMBL6566565 0.86 PAX8 (0.55) PAX8ALDH1A1GAAMEN1KMT2A
SCHEMBL6566611 0.86 CASR (0.54) CASRALDH1A1MEN1KMT2AKDM4E
SCHEMBL6567780 0.85 CASR (0.53) CASRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6565899 0.85 CASR (0.72) CASRMEN1KMT2ASMN1; SMN2ESRRA
SCHEMBL6567954 0.85 CASR (0.52) CASRKMT2AKDM4EESRRAPTPN1
SCHEMBL6566680 0.84 CASR (0.56) CASRMEN1KMT2ASMN1; SMN2ESRRA
SCHEMBL6565789 0.84 CASR (0.56) CASRMEN1KMT2ASMN1; SMN2ESRRA
SCHEMBL6564673 0.83 CASR (0.53) CASRMEN1KMT2ASMN1; SMN2ESRRA

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 CASR 1621/4885PAX8 1831/4885ALDH1A1 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.