SCHEMBL17816708

SCHEMBL17816708

Clc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.43
AHR P35869 3/20 0.42
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.39
FTO Q9C0B1 2/20 0.39
CYP2C19 P33261 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
SMAD3 P84022 1/20 0.39
PRMT1 Q99873 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
AKR1A1 P14550 1/20 0.36
AKR1B1 P15121 1/20 0.36

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
SCHEMBL22933917 0.98 PDK2 (0.44) PDK2AHRMAPK1MAPTFTO
SCHEMBL23285076 0.92 PDK2 (0.51) PDK2AHRMAPK1MAPTFTO
SCHEMBL29603442 0.92 PDK2 (0.51) PDK2AHRMAPK1MAPTFTO
SCHEMBL17816867 0.90 MAPK1 (0.44) PDK2AHRMAPK1MAPTCYP2C19
SCHEMBL31753805 0.89 MAPK1 (0.45) PDK2AHRMAPK1MAPTCYP2C19
SCHEMBL22891353 0.89 MAPK1 (0.45) PDK2AHRMAPK1MAPTCYP2C19
SCHEMBL23285069 0.89 PDK2 (0.47) PDK2AHRMAPK1DRD2DRD4
SCHEMBL23372663 0.87 ELANE (0.40) PDK2AHRMAPK1MAPTFTO
SCHEMBL24027778 0.87 PDK2 (0.40) PDK2AHRMAPK1MAPTFTO
SCHEMBL23372347 0.86 PDK2 (0.46) PDK2AHRMAPK1MAPTFTO

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 893/4885AHR 3751/4885MAPK1 355/4885
US-10573818-B2 Materials for organic electroluminescent devices PIEZO1, LEF1, EFNA1 PDK2 893/4885AHR 3751/4885MAPK1 355/4885

“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.