SCHEMBL4978774

SCHEMBL4978774

O=C(C=C1c2ccccc2C(=O)c2ccc(Cl)cc21)c1cccc(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.54
TAB1 Q15750 1/20 0.54
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
AR P10275 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
S100A4 P26447 1/20 0.44
CDYL2 Q8N8U2 1/20 0.44

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
SCHEMBL4978768 1.00 MAP3K7 (0.54) MAP3K7TAB1TUBB4ATUBBTUBA3C
SCHEMBL4978547 0.89 MAP3K7 (0.64) MAP3K7TAB1TUBB4ATUBBTUBA3C
SCHEMBL4781796 0.89 MAP3K7 (0.50) MAP3K7TAB1CDYL2CDYLCDY1; CDY1B
SCHEMBL14273456 0.89 MAP3K7 (0.50) MAP3K7TAB1CDYL2CDYLCDY1; CDY1B
SCHEMBL4777407 0.89 MAP3K7 (0.50) MAP3K7TAB1CDYL2CDYLCDY1; CDY1B
SCHEMBL14273455 0.89 MAP3K7 (0.50) MAP3K7TAB1CDYL2CDYLCDY1; CDY1B
SCHEMBL4781798 0.89 MAP3K7 (0.50) MAP3K7TAB1CDYL2CDYLCDY1; CDY1B
SCHEMBL4777410 0.89 MAP3K7 (0.50) MAP3K7TAB1CDYL2CDYLCDY1; CDY1B
SCHEMBL4838997 0.85 MAP3K7 (0.52) MAP3K7TAB1TUBB4ATUBBTUBA3C
SCHEMBL4986329 0.85 TGM2 (0.53) MAP3K7TAB1TGM2KDM4E

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-20080051463-A1 ANTHRACENE COMPOUNDS AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOR DISORDERS AETERNA ZENTARIS GMBH (DE) 2008-02-28 US 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

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 981/4885TUBB4A 11/4885

“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.