SCHEMBL30480901

SCHEMBL30480901

OC1(c2cc(-c3ccccc3)c(Br)cc2-c2ccccc2)c2ccccc2-c2ccc(Br)cc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.49
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
HTT P42858 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
PTPRC P08575 1/20 0.33
PARP1 P09874 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

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
SCHEMBL25604177 1.00 PDK2 (0.49) PDK2ALDH1A1MAPK1THRBTDP1
SCHEMBL30463510 0.90 PDK2 (0.55) PDK2ALDH1A1MAPK1THRBTDP1
SCHEMBL1978583 0.90 PDK2 (0.55) PDK2ALDH1A1MAPK1THRBTDP1
SCHEMBL824160 0.90 PDK2 (0.55) PDK2ALDH1A1MAPK1THRBTDP1
SCHEMBL19164437 0.88 PDK2 (0.54) PDK2ALDH1A1MAPK1THRBTDP1
SCHEMBL19164438 0.88 PDK2 (0.54) PDK2ALDH1A1MAPK1THRBTDP1
SCHEMBL24730387 0.85 PDK2 (0.51) PDK2ALDH1A1MAPK1THRBTDP1
SCHEMBL19167897 0.80 PDK2 (0.55) PDK2ALDH1A1MAPK1THRBTDP1
SCHEMBL490501 0.80 PDK2 (0.47) PDK2ALDH1A1MAPK1THRBTDP1
SCHEMBL761313 0.80 PDK2 (0.47) PDK2ALDH1A1MAPK1THRBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230180599-A1 LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-08 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-20230180599-A1 LIGHT-EMITTING DEVICE CRY1, CRY2, GRIN1 PDK2 781/4885ALDH1A1 11/4885MAPK1 463/4885

“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.