SCHEMBL17816650

SCHEMBL17816650

OC1(c2cccc(-c3ccccc3)c2)c2ccccc2-c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 16/20 0.49
THRB P10828 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 1/20 0.38
APAF1 O14727 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
PTBP1 P26599 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
GALK1 P51570 1/20 0.38
BLM P54132 1/20 0.38
SMAD3 P84022 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL7322862 0.98 PDK2 (0.50) PDK2THRBTDP1SLC6A2SLC6A4
SCHEMBL17816776 0.87 PDK2 (0.46) PDK2THRBTDP1MEN1APAF1
SCHEMBL28607030 0.86 PDK2 (0.49) PDK2THRBTDP1SLC6A2SLC6A4
SCHEMBL23996970 0.85 PDK2 (0.45) PDK2THRBTDP1MEN1LMNA
SCHEMBL27623798 0.84 PDK2 (0.51) PDK2THRBTDP1MEN1APAF1
SCHEMBL7316307 0.84 PDK2 (0.59) PDK2THRBTDP1
SCHEMBL14970795 0.84 PDK2 (0.50) PDK2THRBTDP1MEN1KMT2A
SCHEMBL17816933 0.82 THRB (0.50) PDK2THRBTDP1SLC6A2SLC6A4
SCHEMBL5474585 0.82 PDK2 (0.47) PDK2SLC6A2SLC6A4SLC6A3
SCHEMBL22876054 0.81 PDK2 (0.50) PDK2THRBTDP1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227269-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
US-10573818-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2020-02-25 US disclosed
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
WO-2016087017-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-06-09 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 (2 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-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, LEF1, EFNA1 PDK2 893/4885THRB 4547/4885TDP1 1495/4885
US-10573818-B2 Materials for organic electroluminescent devices PIEZO1, LEF1, EFNA1 PDK2 893/4885THRB 4547/4885TDP1 1495/4885

“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.