SCHEMBL13702055

SCHEMBL13702055

O=C(c1cccc(C(=O)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 12/20 0.57
TDP1 Q9NUW8 2/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CNR2 P34972 1/20 0.41
PBRM1 Q86U86 1/20 0.41
PTPRC P08575 1/20 0.40
THRB P10828 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
SCHEMBL13702054 0.95 PDK2 (0.55) PDK2TDP1ATML3MBTL1THRB
SCHEMBL134286 0.95 PDK2 (0.58) PDK2TDP1ATML3MBTL1THRB
SCHEMBL134285 0.95 PDK2 (0.58) PDK2TDP1ATML3MBTL1THRB
SCHEMBL29114 0.95 PDK2 (0.58) PDK2TDP1ATML3MBTL1THRB
SCHEMBL133477 0.93 PDK2 (0.66) PDK2TDP1ATML3MBTL1CNR2
SCHEMBL1552743 0.93 PDK2 (0.66) PDK2TDP1ATML3MBTL1CNR2
SCHEMBL12337045 0.93 PDK2 (0.60) PDK2TDP1ATML3MBTL1PTPRC
SCHEMBL12200611 0.90 PDK2 (0.54) PDK2TDP1THRB
SCHEMBL13423240 0.89 PDK2 (0.50) PDK2TDP1ATML3MBTL1
SCHEMBL22175362 0.89 PDK2 (0.50) PDK2TDP1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090234164-A1 Oligomeric derivatives of spirobifluorene, their preparation and use MERCK PATENT GMBH (DE) 2009-09-17 US disclosed
US-20090234164-A1 Oligomeric derivatives of spirobifluorene, their preparation and use MERCK PATENT GMBH (DE) 2009-09-17 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-20090234164-A1 Oligomeric derivatives of spirobifluorene, their preparation and use NR3C2, NR0B2, NR0B1 PDK2 2805/4885TDP1 3976/4885ATM 2850/4885

“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.