SCHEMBL132074

SCHEMBL132074

CCC(C)COc1ccc(-c2cc(OCC(C)CC)c(OCC(C)CC)cc2P(=O)(c2ccccc2)c2cc(OCC(C)CC)c(OCC(C)CC)cc2-c2ccc(OCC(C)CC)c(OCC(C)CC)c2)cc1OCC(C)CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.37
DHODH Q02127 2/20 0.36
FFAR1 O14842 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
IGF1R P08069 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 3/20 0.32
MCHR1 Q99705 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.32
PTPRC P08575 1/20 0.32
TP53 P04637 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
SCHEMBL19933711 0.94 DHODH (0.35) TLR8DHODHFFAR1PDE4APDE4B
SCHEMBL24380085 0.87 DHODH (0.31) DHODH
SCHEMBL21397926 0.84 PDE4A (0.34) DHODHPDE4APDE4BPDE4CPDE4D
SCHEMBL10039258 0.78
SCHEMBL5147675 0.75 TLR8 (0.45) TLR8DHODHFFAR1PDE4APDE4B
SCHEMBL13191851 0.73 PDE4A (0.31) PDE4APDE4BPDE4CPDE4D
SCHEMBL2764055 0.73 TLR8 (0.38) TLR8DHODHPDE4APDE4BPDE4C
SCHEMBL12856555 0.72 MAPT (0.40) TLR8DHODHFFAR1PDE4APDE4B
SCHEMBL134317 0.70 TLR8 (0.34) TLR8FFAR1IGF1RKMT2AKDM4E
SCHEMBL5885519 0.70 TLR8 (0.37) TLR8DHODHPDE4APDE4BPDE4C

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3005433-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2023-02-22 EP disclosed
US-11535640-B2 Metal complexes MERCK PATENT GMBH (DE) 2022-12-27 US disclosed
US-11145828-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-10-12 US disclosed
EP-3658564-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-05-19 EP disclosed
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices MERCK PATENT GMBH 2021-01-12 US disclosed
EP-3117470-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2020-12-23 EP disclosed
EP-3526228-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
EP-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed
EP-3526226-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-07-22 EP disclosed
US-9236578-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2016-01-12 US disclosed
US-20130168663-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2013-07-04 US disclosed
US-20130168663-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2013-07-04 US disclosed
US-20120056169-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2012-03-08 US disclosed
US-20120056169-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2012-03-08 US disclosed
EP-2251396-A2 Mixture of organic emission-capable semiconductors and matrix materials, use of same and electronic components containing same Merck Patent GmbH (DE) 2010-11-17 EP disclosed
US-7776455-B2 Organic electronic devices MERCK PATENT GMBH (DE) 2010-08-17 US disclosed
US-7776455-B2 Organic electronic devices MERCK PATENT GMBH (DE) 2010-08-17 US disclosed
US-20070170419-A1 Organic electronic devices MERCK PATENT GMBH (DE) 2007-07-26 US disclosed
US-20070170419-A1 Organic electronic devices MERCK PATENT GMBH (DE) 2007-07-26 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 (3 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-11145828-B2 Metal complexes AP1M1, AP2M1, AP3M1 TLR8 3445/4885DHODH 4150/4885FFAR1 4862/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG TLR8 800/4885DHODH 4174/4885FFAR1 4260/4885
US-11535640-B2 Metal complexes IMMT, MCU, SOD1 TLR8 4418/4885DHODH 3251/4885FFAR1 4835/4885

“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.