SCHEMBL4244869

SCHEMBL4244869

Cc1cc(-c2ccsc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 9/20 0.48
CYP2B6 P20813 3/20 0.46
CYP2E1 P05181 2/20 0.46
KCNH2 Q12809 1/20 0.44
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD2 P14416 1/20 0.38
HTR6 P50406 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ACMSD Q8TDX5 1/20 0.37
ERN1 O75460 1/20 0.37
PTPRC P08575 1/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37

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
SCHEMBL4244577 0.81 DAO (0.44) KDM4E
SCHEMBL22734782 0.76 CYP2A6 (0.48) CYP2A6CYP2B6CYP2E1KCNH2PDGFRB
SCHEMBL2125063 0.75 CYP2A6 (0.72) CYP2A6CYP2B6CYP2E1KCNH2PDGFRB
SCHEMBL883778 0.73 ALDH1A1 (0.44) CYP2A6CYP2B6CYP2E1KDM4E
SCHEMBL14198883 0.73 ALDH1A1 (0.41) KDM4E
SCHEMBL5226951 0.71 MAPT (0.50) CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL6192775 0.71 ERN1 (0.50) CYP2A6CYP2B6CYP2E1KCNH2CYP3A4
SCHEMBL29136542 0.71 CYP2A6 (0.59) CYP2A6CYP2B6CYP2E1KCNH2PDGFRB
SCHEMBL27989815 0.70 CYP2A6 (0.74) CYP2A6CYP2B6CYP2E1KCNH2CYP3A4
SCHEMBL2782336 0.70 CYP2A6 (0.58) CYP2A6CYP2B6CYP2E1KCNH2PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11258020-B2 Crosslinking p-dopants for p-doping organic hole conductors OSRAM OLED GMBH (DE) 2022-02-22 US disclosed
US-20190140190-A1 CROSSLINKING P-DOPANTS FOR P-DOPING ORGANIC HOLE CONDUCTORS MERCK PATENT GMBH (DE) 2019-05-09 US disclosed
US-7884209-B2 as redox-dopant and/or emitter in electronic, optoelectronic or electroluminescent structural elements; oxidation and moisture resistance NOVALED AG (DE) 2011-02-08 US disclosed
US-7884209-B2 as redox-dopant and/or emitter in electronic, optoelectronic or electroluminescent structural elements; oxidation and moisture resistance NOVALED AG (DE) 2011-02-08 US disclosed
US-20100234608-A1 Use of Bora-Tetraazapentalenes NOVALED AG (DE) 2010-09-16 US disclosed
US-20100234608-A1 Use of Bora-Tetraazapentalenes NOVALED AG (DE) 2010-09-16 US disclosed
EP-1926738-B1 SYNTHESIS OF CYCLOPENTADIENEDITHIOPHENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2009-12-09 EP disclosed
US-20090118522-A1 Synthesis of Cyclopentadienedithiophene Derivatives BASELL POLYOLEFINE GMBH (DE) 2009-05-07 US disclosed
US-20090118522-A1 Synthesis of Cyclopentadienedithiophene Derivatives BASELL POLYOLEFINE GMBH (DE) 2009-05-07 US disclosed
US-20090118522-A1 Synthesis of Cyclopentadienedithiophene Derivatives BASELL POLYOLEFINE GMBH (DE) 2009-05-07 US disclosed
EP-1926738-A1 SYNTHESIS OF CYCLOPENTADIENEDITHIOPHENE DERIVATIVES Basell Polyolefine GmbH (DE) 2008-06-04 EP disclosed
US-7332858-B2 Light emitting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-02-19 US disclosed
US-7332858-B2 Light emitting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-02-19 US disclosed
WO-2007110228-A1 N-HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRONIC, OPTOELECTRONIC AND ELECTROLUMINESCENT COMPONENTS NOVALED AG (DE) 2007-10-04 WO disclosed
EP-1840120-A1 N-Heterocyclic compounds and their use in electronic, optoelectronic and electroluminiscent components Novaled AG (DE) 2007-10-03 EP disclosed
WO-2007033937-A1 SYNTHESIS OF CYCLOPENTADIENEDITHIOPHENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2007-03-29 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-20100234608-A1 Use of Bora-Tetraazapentalenes ETFA, GPX1, CYBB CYP2A6 1030/4885CYP2B6 973/4885CYP2E1 615/4885
US-20090118522-A1 Synthesis of Cyclopentadienedithiophene Derivatives CCNT1, CBR1, TST CYP2A6 357/4885CYP2B6 193/4885CYP2E1 65/4885

“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.