SCHEMBL4777407

SCHEMBL4777407

N=C1c2ccccc2/C(=C/C(=O)c2cccc(O)c2)c2cc(Cl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.50
TAB1 Q15750 1/20 0.50
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
CDY1; CDY1B Q9Y6F8 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
TGM2 P21980 3/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL14273456 1.00 MAP3K7 (0.50) MAP3K7TAB1CDYL2CDYLCDY1; CDY1B
SCHEMBL4777410 1.00 MAP3K7 (0.50) MAP3K7TAB1CDYL2CDYLCDY1; CDY1B
SCHEMBL4781768 0.90 MAP3K7 (0.59) MAP3K7TAB1HSD17B1HSD17B2MAPT
SCHEMBL4978768 0.89 MAP3K7 (0.54) MAP3K7TAB1CDYL2CDYLCDY1; CDY1B
SCHEMBL4978774 0.89 MAP3K7 (0.54) MAP3K7TAB1CDYL2CDYLCDY1; CDY1B
SCHEMBL14273455 0.88 MAP3K7 (0.50) MAP3K7TAB1CDYL2CDYLCDY1; CDY1B
SCHEMBL4781798 0.88 MAP3K7 (0.50) MAP3K7TAB1CDYL2CDYLCDY1; CDY1B
SCHEMBL4781796 0.88 MAP3K7 (0.50) MAP3K7TAB1CDYL2CDYLCDY1; CDY1B
SCHEMBL4978547 0.77 MAP3K7 (0.64) MAP3K7TAB1
SCHEMBL4838997 0.77 MAP3K7 (0.52) MAP3K7TAB1TGM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051463-A1 ANTHRACENE COMPOUNDS AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOR DISORDERS AETERNA ZENTARIS GMBH (DE) 2008-02-28 US claimed
WO-2008015265-A1 ANTHRACEN DERIVATIVES AND THEIR USE FOR THE TREATMENT OF BENIGN AND MALIGNANT TUMOROUS DISEASES ÆTERNA ZENTARIS GMBH (DE) 2008-02-07 WO claimed
US-20080051463-A1 ANTHRACENE COMPOUNDS AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOR DISORDERS AETERNA ZENTARIS GMBH (DE) 2008-02-28 US disclosed
WO-2008015265-A1 ANTHRACEN DERIVATIVES AND THEIR USE FOR THE TREATMENT OF BENIGN AND MALIGNANT TUMOROUS DISEASES ÆTERNA ZENTARIS GMBH (DE) 2008-02-07 WO 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-20080051463-A1 ANTHRACENE COMPOUNDS AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOR DISORDERS TUBB1, TUBA1C, TUBB3 MAP3K7 1090/4885TAB1 981/4885CDYL2 1481/4885

“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.