SCHEMBL2606061

SCHEMBL2606061

O=C(c1ccccc1)c1cc(-c2ccccc2)cc(C2(c3cc(C(=O)c4ccccc4)cc(-c4ccccc4)c3)c3ccccc3-c3ccccc32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.45
▸ ALDH1A1 P00352 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMO O15229 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ HKDC1 Q2TB90 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ CNR2 P34972 3/20 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
SCHEMBL2606064 0.96 PDK2 (0.44) PDK2ALDH1A1TDP1THRBL3MBTL1
SCHEMBL12864305 0.90 TDP1 (0.47) PDK2TDP1THRBL3MBTL1ATM
SCHEMBL12864302 0.90 PDK2 (0.46) PDK2ALDH1A1TDP1THRBL3MBTL1
SCHEMBL12864188 0.90 PDK2 (0.49) PDK2ALDH1A1TDP1THRBL3MBTL1
SCHEMBL1167840 0.89 TDP1 (0.52) PDK2ALDH1A1TDP1THRBL3MBTL1
SCHEMBL10053688 0.85 CNR2 (0.47) PDK2ALDH1A1TDP1L3MBTL1ATM
SCHEMBL2606066 0.83 PDK2 (0.41) PDK2TDP1THRBL3MBTL1ATM
SCHEMBL10053610 0.82 PDK2 (0.40) PDK2TDP1THRBL3MBTL1ATM
SCHEMBL13649845 0.82 PDK2 (0.40) PDK2TDP1THRBL3MBTL1ATM
SCHEMBL2606060 0.82 ALDH1A1 (0.44) PDK2ALDH1A1TDP1L3MBTL1MEN1

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 7 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
EP-2260023-B1 FLUORENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2012-04-25 — — EP 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
WO-2009124627-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2009-10-15 — — 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-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 PDK2 2382/4885ALDH1A1 2171/4885TDP1 3147/4885

“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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