SCHEMBL2392834

SCHEMBL2392834

O=Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(Br)ccc1-2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.45
ALDH1A1 P00352 4/20 0.44
PTPRC P08575 1/20 0.39
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
AKR1A1 P14550 1/20 0.32
AKR1B1 P15121 1/20 0.32
KIF11 P52732 2/20 0.32
S100A4 P26447 1/20 0.32
ERN1 O75460 1/20 0.32

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
SCHEMBL10039375 0.92 ALDH1A1 (0.47) PDK2ALDH1A1PTPRCMAOAMAOB
SCHEMBL16346844 0.90 ALDH1A1 (0.41) PDK2ALDH1A1TDP1KDM4EMAPT
SCHEMBL16346749 0.90 ALDH1A1 (0.41) PDK2ALDH1A1TDP1KDM4EMAPT
SCHEMBL5846694 0.90 ALDH1A1 (0.41) PDK2ALDH1A1TDP1KDM4EMAPT
SCHEMBL2395101 0.88 PDK2 (0.41) PDK2ALDH1A1PTPRC
SCHEMBL21174567 0.85 MEN1 (0.41) PDK2ALDH1A1PTPRCOPRM1OPRD1
SCHEMBL30082735 0.85 MEN1 (0.41) PDK2ALDH1A1PTPRCOPRM1OPRD1
SCHEMBL783450 0.85 PDK2 (0.58) PDK2ALDH1A1PTPRCOPRM1OPRD1
SCHEMBL29574412 0.85 PDK2 (0.58) PDK2ALDH1A1PTPRCOPRM1OPRD1
SCHEMBL996751 0.85 PDK2 (0.58) PDK2ALDH1A1PTPRCOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371813-A1 Spirobifluorene-based compound and dye-sensitized solar cell using the same Samsung SDI Co., Ltd. (KR) 2011-10-05 EP disclosed
EP-2371813-A1 Spirobifluorene-based compound and dye-sensitized solar cell using the same Samsung SDI Co., Ltd. (KR) 2011-10-05 EP disclosed
US-20110232763-A1 SPIROBIFLUORENE-BASED COMPOUND AND DYE-SENSITIZED SOLAR CELL USING THE SAME SAMSUNG SDI CO., LTD. (KR) 2011-09-29 US disclosed
US-20110232763-A1 SPIROBIFLUORENE-BASED COMPOUND AND DYE-SENSITIZED SOLAR CELL USING THE SAME SAMSUNG SDI CO., LTD. (KR) 2011-09-29 US disclosed
US-20110232763-A1 SPIROBIFLUORENE-BASED COMPOUND AND DYE-SENSITIZED SOLAR CELL USING THE SAME SAMSUNG SDI CO., LTD. (KR) 2011-09-29 US disclosed
WO-2007086701-A1 ELECTROLUMINESCENT COMPOUNDS COMPRISING FLUORENE GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2007-08-02 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-20110232763-A1 SPIROBIFLUORENE-BASED COMPOUND AND DYE-SENSITIZED SOLAR CELL USING THE SAME TRPA1, FDFT1, STOM PDK2 283/4885ALDH1A1 384/4885PTPRC 446/4885

“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.