SCHEMBL19863939

SCHEMBL19863939

OC1(c2ccccc2-c2ccccc2)c2ccccc2C=Cc2cc(Br)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.39
PARP1 P09874 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPK1 P28482 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
PIM1 P11309 2/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 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
SCHEMBL19863933 0.91 PDK2 (0.42) PDK2PARP1PTGDR2ALDH1A1MAPK1
SCHEMBL19846172 0.88 PDK2 (0.44) PDK2PARP1PTGDR2ALDH1A1MAPK1
SCHEMBL490501 0.83 PDK2 (0.47) PDK2PARP1PTGDR2ALDH1A1MAPK1
SCHEMBL761313 0.83 PDK2 (0.47) PDK2PARP1PTGDR2ALDH1A1MAPK1
SCHEMBL19164107 0.82 PDK2 (0.46) PDK2PARP1PTGDR2ALDH1A1MAPK1
SCHEMBL30463510 0.80 PDK2 (0.55) PDK2PTGDR2ALDH1A1MAPK1SLC6A2
SCHEMBL1978583 0.80 PDK2 (0.55) PDK2PTGDR2ALDH1A1MAPK1SLC6A2
SCHEMBL824160 0.80 PDK2 (0.55) PDK2PTGDR2ALDH1A1MAPK1SLC6A2
SCHEMBL19862364 0.80 ALOX5 (0.34) PDK2ALDH1A1TDP1PIM1POLB
SCHEMBL19862350 0.80 HSP90AA1 (0.35) PDK2ALDH1A1

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-3281936-B1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SHANGHAI NICHEM FINE CHEMICAL CO LTD (CN) 2019-10-09 EP disclosed
US-20180047908-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 US disclosed
EP-3281936-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME Nichem Fine Technology Co., Ltd. (TW) 2018-02-14 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-20180047908-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME ESR1, AOC2, PIEZO1 PDK2 1268/4885PARP1 2730/4885PTGDR2 766/4885

“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.