SCHEMBL4981501

SCHEMBL4981501

O=C(C=C1c2ccccc2C(=O)c2ccccc21)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.47
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
AR P10275 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45

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
SCHEMBL4726272 0.87 NFE2L2 (0.48) CCNB2CDK1CCNB1CCNB3MAPT
SCHEMBL4780631 0.87 MAOA (0.49) MMP9MEN1MAPTMAOAMAOB
SCHEMBL4981841 0.85 CCNB2 (0.62) CCNB2CDK1CCNB1CCNB3CYP1B1
SCHEMBL4981758 0.85 TGM2 (0.49) MAPTCYP1B1
SCHEMBL4981956 0.85 ALDH1A1 (0.48) CCNB2CDK1CCNB1CCNB3MEN1
SCHEMBL4984157 0.85 CCNB2 (0.47) CCNB2CDK1CCNB1CCNB3MAPT
SCHEMBL4978547 0.82 MAP3K7 (0.64) TUBB4ATUBBTUBA3CARTUBA1B
SCHEMBL4582870 0.82 MAP3K7 (0.64) MAPT
SCHEMBL4582126 0.81 AR (0.51) ARMEN1MAPTHSPD1MAOB
SCHEMBL4979980 0.79 MAP3K7 (0.50)

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 5 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
US-20080051463-A1 ANTHRACENE COMPOUNDS AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOR DISORDERS AETERNA ZENTARIS GMBH (DE) 2008-02-28 US disclosed
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 MMP9 2324/4885CCNB2 268/4885CDK1 166/4885

“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.