SCHEMBL5763937

SCHEMBL5763937

Brc1ccc2c(c1)-c1ccc(Br)cc1C2(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.46
▸ PTPRC P08575 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ AKR1C1 Q04828 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
SCHEMBL5761084 0.95 PDK2 (0.50) PDK2PTPRCALDH1A1MAPK1PTGDR2
SCHEMBL5762894 0.95 PDK2 (0.50) PDK2PTPRCALDH1A1MAPK1PTGDR2
SCHEMBL24730399 0.92 PDK2 (0.53) PDK2PTPRCALDH1A1MAPK1OPRM1
SCHEMBL3283809 0.92 PDK2 (0.53) PDK2PTPRCALDH1A1MAPK1OPRM1
SCHEMBL17923675 0.91 PDK2 (0.44) PDK2PTPRCALDH1A1MAPK1PTGDR2
SCHEMBL19172170 0.90 PDK2 (0.51) PDK2PTPRCALDH1A1MAPK1OPRM1
SCHEMBL19001890 0.89 PDK2 (0.48) PDK2PTPRCALDH1A1MAPK1KDM4E
SCHEMBL25226118 0.88 PDK2 (0.44) PDK2PTPRCALDH1A1MAPK1PTGDR2
SCHEMBL17923649 0.87 PDK2 (0.40) PDK2PTPRCALDH1A1MAPK1PTGDR2
SCHEMBL14073381 0.86 PDK2 (0.54) PDK2PTPRCALDH1A1MAPK1OPRM1

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-1690847-B1 pi-conjugated compound having cardo structure, process for the preparation thereof and use thereof TOSOH CORP (JP) 2016-06-22 — — EP disclosed
US-20060186797-A1 Pi-conjugated compound having cardo structure, process for preparing same and use of same TOSOH CORPORATION (JP) 2006-08-24 — — US disclosed
EP-1690847-A1 pi-Conjugated compound having cardo structure, process for the preparation thereof and use thereof Tosoh Corporation (JP) 2006-08-16 — — EP 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-20060186797-A1 Pi-conjugated compound having cardo structure, process for preparing same and use of same ARL1, TERB1, LEO1 PDK2 3990/4885PTPRC 2794/4885ALDH1A1 2247/4885

“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.

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