SCHEMBL1589873

SCHEMBL1589873

Cc1cccc2c1-c1ccc3c(c1C2(C)C)C(C)(C)c1cccc(C)c1-3

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.44
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
CD44 P16070 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
MYC P01106 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DAO P14920 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL21730837 0.84 PDK2 (0.44) PDK2HTR7HTR2BCD44CA1
SCHEMBL19113478 0.81 PDK2 (0.56) PDK2HTR7HTR2BCD44CA1
SCHEMBL1031388 0.81 PDK2 (0.43) PDK2HTR7HTR2BCD44CA1
SCHEMBL31507440 0.77 PDK2 (0.44) PDK2HTR7HTR2BCD44ALDH1A1
SCHEMBL17108445 0.77 PDK2 (0.44) PDK2CA1CA2CA7CA9
SCHEMBL18457543 0.76 PDK2 (0.47) PDK2HTR7HTR2BACHEHTR2A
SCHEMBL26083876 0.76 PDK2 (0.43) PDK2HTR7HTR2BCA1CA2
SCHEMBL31363013 0.76 PDK2 (0.43) PDK2HTR7HTR2BALDH1A1
SCHEMBL12647599 0.76 PGR (0.35) PDK2HTR7HTR2BALDH1A1
SCHEMBL23625524 0.74 PDK2 (0.51) PDK2HTR7HTR2BTSHRHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276723-B1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-01-27 EP disclosed
US-8766001-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2014-07-01 US disclosed
US-20110092701-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-04-21 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-20110092701-A1 COMPOUNDS FOR ELECTRONIC DEVICES SLCO4C1, SLCO2A1, TOE1 PDK2 2449/4885HTR7 2867/4885HTR2B 1625/4885

“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.