SCHEMBL5012603

SCHEMBL5012603

Brc1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPK1 P28482 2/20 0.52
MAPT P10636 3/20 0.46
PKM P14618 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MDM2 Q00987 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NLRP3 Q96P20 1/20 0.44
KDM4E B2RXH2 2/20 0.44
XBP1 P17861 1/20 0.44
USP8 P40818 1/20 0.43
PLAUR Q03405 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
GLS O94925 1/20 0.42
GLS2 Q9UI32 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL28601600 0.94 ALDH1A1 (0.56) ALDH1A1MAPK1MAPTPKMHTT
SCHEMBL11953125 0.91 ALDH1A1 (0.52) ALDH1A1MAPK1MAPTPKMHTT
SCHEMBL6288437 0.89 MEN1 (0.59) ALDH1A1MAPK1MAPTPKMHTT
SCHEMBL14478867 0.87 ALDH1A1 (0.64) ALDH1A1MAPK1MAPTPKMHTT
SCHEMBL6287503 0.85 MAPT (0.54) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL11310071 0.84 MAPT (0.52) ALDH1A1MAPK1MAPTPKMHTT
SCHEMBL22991702 0.81 MEN1 (0.52) ALDH1A1MAPTPKMHTTMEN1
SCHEMBL12103668 0.79 ALDH1A1 (0.52) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL5012531 0.79 ALDH1A1 (0.52) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL5134545 0.79 MEN1 (0.61) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104649949-B A kind of pure organic D- π-A type light-sensitive coloring agents and its preparation method and application 南京信息工程大学 2018-06-01 CN claimed
CN-105153007-B A kind of fluorescence lights the fluorescent material of type detection explosive, preparation method and application 北京理工大学 2017-10-27 CN claimed
CN-106748954-A A kind of fluorescent chemicals, preparation method and application for detecting micro cryanide ion 北京理工大学 2017-05-31 CN claimed
CN-105153007-A Fluorescence illuminating fluorescent material for detecting explosive, preparing method and application BEIJING INST TECHNOLOGY 2015-12-16 CN claimed
CN-118580803-B EVA (ethylene vinyl acetate) light conversion adhesive film for photovoltaic and preparation method thereof 苏州易昇光学材料股份有限公司 2024-10-11 CN disclosed
CN-118580803-A EVA (ethylene vinyl acetate) light conversion adhesive film for photovoltaic and preparation method thereof 苏州易昇光学材料股份有限公司 2024-09-03 CN disclosed
CN-104649949-B A kind of pure organic D- π-A type light-sensitive coloring agents and its preparation method and application 南京信息工程大学 2018-06-01 CN disclosed
CN-105153007-B A kind of fluorescence lights the fluorescent material of type detection explosive, preparation method and application 北京理工大学 2017-10-27 CN disclosed
CN-106748954-A A kind of fluorescent chemicals, preparation method and application for detecting micro cryanide ion 北京理工大学 2017-05-31 CN disclosed
CN-105153007-A Fluorescence illuminating fluorescent material for detecting explosive, preparing method and application BEIJING INST TECHNOLOGY 2015-12-16 CN disclosed
CN-104649949-A Pure organic D-pi-A type photosensitive dye as well as preparation method and application thereof UNIV NANJING INF SCI & TECH 2015-05-27 CN disclosed
US-20110266527-A1 PYRROLE COMPOUND AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME CHEIL INDUSTRIES, INC. (KR) 2011-11-03 US disclosed
US-20110266527-A1 PYRROLE COMPOUND AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME CHEIL INDUSTRIES, INC. (KR) 2011-11-03 US disclosed
EP-1389626-B1 Aromatic copolymers of pyrroles and an electroluminescent element using the same KOREA INST SCI & TECH (KR) 2008-12-31 EP disclosed
US-6780950-B2 Pyrrole compounds, polymers thereof and EL element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-08-24 US disclosed
US-20040034189-A1 Pyrrole compounds, polymers thereof and EL element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2004-02-19 US disclosed
EP-1389626-A1 Aromatic copolymers of pyrroles and an electroluminescent element using the same Korea Institute of Science and Technology (KR) 2004-02-18 EP 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-20110266527-A1 PYRROLE COMPOUND AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME PPOX, PYCR1, ALDH18A1 ALDH1A1 301/4885MAPK1 275/4885MAPT 1966/4885

“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.