SCHEMBL12864305

SCHEMBL12864305

O=C(c1cccc(-c2ccccc2)c1)c1cc(C(=O)c2cccc(-c3ccccc3)c2)cc(C2(c3cc(C(=O)c4cccc(-c5ccccc5)c4)cc(C(=O)c4cccc(-c5ccccc5)c4)c3)c3ccccc3-c3ccccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KMO O15229 1/20 0.46
▸ PDK2 Q15119 7/20 0.46
▸ HDAC8 Q9BY41 1/20 0.43
▸ ERCC5 P28715 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ TDP2 O95551 1/20 0.39

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
SCHEMBL2606066 0.92 PDK2 (0.41) TDP1ATML3MBTL1KMOPDK2
SCHEMBL2606061 0.90 PDK2 (0.45) TDP1ATML3MBTL1KMOPDK2
SCHEMBL2606064 0.89 PDK2 (0.44) TDP1ATML3MBTL1KMOPDK2
SCHEMBL12864302 0.88 PDK2 (0.46) TDP1ATML3MBTL1PDK2THRB
SCHEMBL1167840 0.88 TDP1 (0.52) TDP1ATML3MBTL1PDK2THRB
SCHEMBL12864217 0.83 POLB (0.47) TDP1ATML3MBTL1PDK2HDAC8
SCHEMBL12864224 0.83 CES2 (0.45) TDP1ATML3MBTL1PDK2
SCHEMBL13649845 0.81 PDK2 (0.40) TDP1ATML3MBTL1PDK2THRB
SCHEMBL10053610 0.81 PDK2 (0.40) TDP1ATML3MBTL1PDK2THRB
SCHEMBL12864298 0.81 BCAT2 (0.44) TDP1ATMPDK2THRB

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
WO-2023117835-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 — — WO disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — US disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — 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-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 TDP1 3147/4885ATM 2324/4885L3MBTL1 1536/4885

“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.

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