SCHEMBL2428720

SCHEMBL2428720

C1=CCC(C2=Nc3ccccc3C2)=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.36
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPA1 O75762 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL5021700 0.77 NOS3 (0.46) HRH4NOS3NOS1NOS2RAB9A
SCHEMBL26747028 0.75
SCHEMBL20018436 0.72 HRH4 (0.32) HRH4NOS3NOS1NOS2
SCHEMBL13961627 0.71 HRH4 (0.46) HRH4NOS3NOS1NOS2RAB9A
SCHEMBL10039081 0.71 MAPT (0.49) HRH4NOS3NOS1NOS2RAB9A
SCHEMBL26598289 0.70 CYP11B2 (0.46) HRH4NOS3NOS1NOS2RAB9A
SCHEMBL2433109 0.70 MAPT (0.53) NOS3NOS1NOS2RAB9ANPC1
SCHEMBL30136580 0.70 MAPT (0.53) NOS3NOS1NOS2RAB9ANPC1
SCHEMBL12266834 0.68 RAB9A (0.63) HRH4RAB9ANPC1ALDH1A1MAPT
SCHEMBL10039077 0.68 HRH4 (0.44) HRH4NOS3NOS1NOS2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364318-A1 CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION Bio-Rad Laboratories, Inc. (US) 2011-09-14 EP claimed
WO-2010065514-A1 CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION BIO-RAD LABORATORIES, INC. (US) 2010-06-10 WO claimed
US-20100144046-A1 CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION BIO-RAD LABORATORIES, INC. (US) 2010-06-10 US claimed
US-20240026218-A1 METAL-ASSISTED DELAYED FLUORESCENT MATERIALS AS CO-HOST MATERIALS FOR FLUORESCENT OLEDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2024-01-25 US disclosed
US-11795387-B2 Metal-assisted delayed fluorescent materials as co-host materials for fluorescent OLEDs ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2023-10-24 US disclosed
US-20230263002-A1 ORGANIC LIGHT-EMITTING DIODES WITH FLUORESCENT AND PHOSPHORESCENT EMITTERS UNIV ARIZONA STATE (US) 2023-08-17 US disclosed
US-20230145851-A1 INTERFACE LAYER DESIGN FOR EFFICIENT AND STABLE WHITE OLEDS UNITED STATES DEPARTMENT OF ENERGY 2023-05-11 US disclosed
US-10020455-B2 Tetradentate platinum and palladium complex emitters containing phenyl-pyrazole and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-07-10 US disclosed
US-20180159051-A1 EMITTERS BASED ON OCTAHEDRAL METAL COMPLEXES ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-06-07 US disclosed
US-20180138428-A1 METAL-ASSISTED DELAYED FLUORESCENT EMITTERS CONTAINING TRIDENTATE LIGANDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-05-17 US disclosed
US-9920242-B2 Metal-assisted delayed fluorescent materials as co-host materials for fluorescent OLEDs ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-20 US disclosed
EP-2364318-A1 CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION Bio-Rad Laboratories, Inc. (US) 2011-09-14 EP disclosed
US-20100144046-A1 CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION BIO-RAD LABORATORIES, INC. (US) 2010-06-10 US disclosed
WO-2010065514-A1 CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION BIO-RAD LABORATORIES, INC. (US) 2010-06-10 WO disclosed
US-20090131640-A1 PHOTOLUMINESCENT METAL COMPLEXES FOR PROTEIN STAINING BIO-RAD LABORATORIES, INC. (US) 2009-05-21 US disclosed
US-20080026135-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M INNOVATIVE PROPERTIES COMPANY 2008-01-31 US disclosed
US-7282275-B2 Materials for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-16 US disclosed
US-7271406-B2 Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-18 US disclosed
US-20070107835-A1 ETHYNYL CONTAINING ELECTRON TRANSPORT DYES AND COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2007-05-17 US disclosed
US-7192657-B2 Ethynyl containing electron transport dyes and compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-03-20 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 (5 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-20090131640-A1 PHOTOLUMINESCENT METAL COMPLEXES FOR PROTEIN STAINING NR2E3, NR2C2, ORC3 HRH4 385/4885NOS3 137/4885NOS1 937/4885
US-20180159051-A1 EMITTERS BASED ON OCTAHEDRAL METAL COMPLEXES POLR1G, ITPA, ERCC5 HRH4 4063/4885NOS3 4290/4885NOS1 4319/4885
US-20100144046-A1 CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION CAD, NCLN, CCL5 HRH4 3493/4885NOS3 1182/4885NOS1 2038/4885
US-20180138428-A1 METAL-ASSISTED DELAYED FLUORESCENT EMITTERS CONTAINING TRIDENTATE LIGANDS SLC30A6, SLC30A5, BRI3BP HRH4 1479/4885NOS3 4169/4885NOS1 4323/4885
US-10020455-B2 Tetradentate platinum and palladium complex emitters containing phenyl-pyrazole and its analogues PDCD1, PDCD11, HPRT1 HRH4 3263/4885NOS3 4333/4885NOS1 4389/4885

“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.