SCHEMBL13781069

SCHEMBL13781069

O=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-2)c2ccc(N3c4ccccc4Sc4ccccc43)cc2-c2cc(N3c4ccccc4Sc4ccccc43)ccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.46
PDK2 Q15119 6/20 0.39
BCHE P06276 8/20 0.36
NOX1 Q9Y5S8 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 3/20 0.35
APEX1 P27695 1/20 0.34

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
SCHEMBL13781039 0.95 HDAC6 (0.48) HDAC6PDK2BCHENOX1MAPT
SCHEMBL24905687 0.87 HDAC6 (0.41) HDAC6BCHENOX1MAPTLMNA
SCHEMBL13781078 0.85 PDK2 (0.46) PDK2MAPTLMNAL3MBTL1APEX1
SCHEMBL21868262 0.85 HDAC6 (0.40) HDAC6BCHENOX1MAPTLMNA
SCHEMBL21688338 0.84 HDAC6 (0.41) HDAC6PDK2BCHENOX1L3MBTL1
SCHEMBL15183545 0.84 HDAC6 (0.41) HDAC6PDK2BCHENOX1L3MBTL1
SCHEMBL17929481 0.81 HDAC6 (0.36) HDAC6BCHENOX1L3MBTL1ACHE
SCHEMBL13781038 0.80 PDK2 (0.41) PDK2NOX1APEX1
SCHEMBL14823501 0.80 HDAC6 (0.44) HDAC6BCHENOX1MAPTLMNA
SCHEMBL12200611 0.78 PDK2 (0.54) PDK2TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206351-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-12-08 US disclosed
US-9206351-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-12-08 US disclosed
US-20090167166-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-07-02 US disclosed
US-20090167166-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-07-02 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-20090167166-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, OR10J3, PUF60 HDAC6 4422/4885PDK2 1068/4885BCHE 3448/4885

“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.