SCHEMBL18463306

SCHEMBL18463306

CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccc(-c5ccncc5)cc4)nc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)n3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 2/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
CHEK2 O96017 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
IDO1 P14902 1/20 0.33
MAPK14 Q16539 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 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
SCHEMBL20465211 0.92 CHEK2 (0.39) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21707353 0.88 HCRTR1 (0.35) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL22136591 0.85 PDK2 (0.34) PDK2MAPTKDM4EALDH1A1LMNA
SCHEMBL22058558 0.85 HCRTR1 (0.37) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL22876458 0.84 PLA2G2A (0.34) PDK2SMN1; SMN2NPC1RAB9ACASP3
SCHEMBL20465233 0.84 PDK2 (0.41) PDK2MAPTKDM4EALDH1A1LMNA
SCHEMBL16746483 0.84 HSP90AA1 (0.35) PDK2MAPTKDM4EALDH1A1LMNA
SCHEMBL22058554 0.84 HCRTR1 (0.35) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL20465222 0.83 HSP90AA1 (0.36) PDK2MAPTKDM4EALDH1A1HPGD
SCHEMBL19846527 0.83 CHEK2 (0.36) MAPTKDM4EALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328841-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-10-11 EP disclosed
US-20180222872-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
US-20180222872-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
WO-2017016630-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-02-02 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 (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-20180222872-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, NES, PIR PDK2 364/4885MAPT 1781/4885KDM4E 2068/4885

“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.