SCHEMBL4980255

SCHEMBL4980255

N=C1c2ccccc2C(=CC(=O)c2ccc(F)c(O)c2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.46
TAB1 Q15750 1/20 0.46
HSD17B14 Q9BPX1 7/20 0.44
P4HB P07237 2/20 0.43
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38

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
SCHEMBL4979980 0.87 MAP3K7 (0.50) MAP3K7TAB1HSD17B14P4HBHSD17B1
SCHEMBL4981012 0.87 HSD17B14 (0.49) MAP3K7TAB1HSD17B14P4HBHSD17B1
SCHEMBL4726277 0.87 MAP3K7 (0.59) MAP3K7TAB1
SCHEMBL4781768 0.78 MAP3K7 (0.59) MAP3K7TAB1P4HBHSD17B1HSD17B2
SCHEMBL14273450 0.77 KMT2A (0.50) P4HB
SCHEMBL4779169 0.74 MAP3K7 (0.60) MAP3K7TAB1
SCHEMBL4582870 0.74 MAP3K7 (0.64) MAP3K7TAB1
SCHEMBL14273456 0.73 MAP3K7 (0.50) MAP3K7TAB1HSD17B1HSD17B2
SCHEMBL4777410 0.73 MAP3K7 (0.50) MAP3K7TAB1HSD17B1HSD17B2
SCHEMBL14273453 0.71 TNFRSF1A (0.40)

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 MAP3K7 1090/4885TAB1 981/4885HSD17B14 1392/4885

“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.