SCHEMBL14508375

SCHEMBL14508375

CCC1(CC)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(Br)ccc3-4)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.37
PGR P06401 4/20 0.34
TDP2 O95551 3/20 0.33
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33
S100A4 P26447 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
ADRA2A P08913 1/20 0.30
PNMT P11086 1/20 0.30

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
SCHEMBL1086094 0.92 PDK2 (0.41) PDK2PGRTDP2AKR1A1AKR1B1
SCHEMBL29514438 0.92 PDK2 (0.41) PDK2PGRTDP2AKR1A1AKR1B1
SCHEMBL429934 0.92 PDK2 (0.45) PDK2
SCHEMBL13935036 0.89 L3MBTL1 (0.33) PDK2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL16358511 0.88 PDK2 (0.33) PDK2TDP2
SCHEMBL10018671 0.87 PDK2 (0.38) PDK2PGRTDP2AKR1A1AKR1B1
SCHEMBL430152 0.87 PDK2 (0.41) PDK2
SCHEMBL14367201 0.87 PDK2 (0.41) PDK2
SCHEMBL15774245 0.86 PDK2 (0.35) PDK2PGRTDP2AKR1A1AKR1B1
SCHEMBL21808487 0.85 NPC1 (0.46) NPC1RAB9ASMN1; SMN2GAANFKB1

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-20070122652-A1 Compound and organic electroluminescent device using same CANON KABUSHIKI KAISHA (JP) 2007-05-31 US disclosed
US-20070122652-A1 Compound and organic electroluminescent device using same CANON KABUSHIKI KAISHA (JP) 2007-05-31 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-20070122652-A1 Compound and organic electroluminescent device using same OR10J3, LEF1, RPL19 PDK2 3230/4885PGR 756/4885TDP2 4014/4885

“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.