SCHEMBL4936702

SCHEMBL4936702

c1ccc([C]2C(c3ccccc3)=C(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
PDE4B Q07343 1/20 0.39
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.36
BCL2L1 Q07817 2/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NOTUM Q6P988 1/20 0.36
MMP3 P08254 1/20 0.36
BACE1 P56817 1/20 0.35
MEN1 O00255 1/20 0.35
P2RX7 Q99572 1/20 0.34

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
SCHEMBL6414357 1.00 ALDH1A1 (0.50) ALDH1A1PDE4BMAPK1RAB9ANPC1
SCHEMBL532970 0.86 ALDH1A1 (0.67) ALDH1A1PDE4BMAPK1RAB9ANPC1
SCHEMBL532969 0.86 ALDH1A1 (0.67) ALDH1A1PDE4BMAPK1RAB9ANPC1
SCHEMBL852224 0.86 ALDH1A1 (0.67) ALDH1A1PDE4BMAPK1RAB9ANPC1
SCHEMBL8980173 0.82 ALDH1A1 (0.61) ALDH1A1PDE4BMAPK1RAB9ANPC1
SCHEMBL8440556 0.82 ALDH1A1 (0.61) ALDH1A1PDE4BMAPK1RAB9ANPC1
SCHEMBL31290735 0.82 ALDH1A1 (0.61) ALDH1A1PDE4BMAPK1RAB9ANPC1
SCHEMBL102657 0.77 FGFR1 (0.42) ALDH1A1MAPK1RAB9ANPC1KMT2A
SCHEMBL1040230 0.73 ALDH1A1 (0.50) ALDH1A1MAPK1RAB9ANPC1KMT2A
SCHEMBL4437887 0.73 ALDH1A1 (0.50) ALDH1A1PDE4BMAPK1RAB9ANPC1

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
EP-3153605-B1 METHOD FOR PRODUCING A LAYERED (SEMI-)CONDUCTIVE MATERIAL UNIV DRESDEN TECH (DE) 2018-07-11 EP claimed
EP-3153605-A1 METHOD FOR PRODUCING A LAYERED (SEMI-)CONDUCTIVE MATERIAL Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-04-12 EP claimed
EP-1546217-B1 PENTAARYLCYCLOPENTADIENYL UNITS AS ACTIVE UNITS IN RESISTIVE MEMORY ELEMENTS QIMONDA AG (DE) 2007-11-07 EP claimed
US-20050213413-A1 Pentaarylcyclopentadienyl units as active units in resistive memory elements POLARIS INNOVATIONS LIMITED (IE) 2005-09-29 US claimed
EP-3153605-B1 METHOD FOR PRODUCING A LAYERED (SEMI-)CONDUCTIVE MATERIAL UNIV DRESDEN TECH (DE) 2018-07-11 EP disclosed
EP-3153605-A1 METHOD FOR PRODUCING A LAYERED (SEMI-)CONDUCTIVE MATERIAL Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-04-12 EP disclosed
US-7417247-B2 Pentaarylcyclopentadienyl units as active units in resistive memory elements INFINEON TECHNOLOGIES, AG (DE) 2008-08-26 US disclosed
US-20050213413-A1 Pentaarylcyclopentadienyl units as active units in resistive memory elements POLARIS INNOVATIONS LIMITED (IE) 2005-09-29 US disclosed
US-6893775-B2 Battery having active material containing neutral carbon radical compound NEC CORPORATION (JP) 2005-05-17 US disclosed
EP-0950254-A4 AN ORGANIC LIGHT EMITTING DEVICE CONTAINING A PROTECTION LAYER UNIV PRINCETON (US) 2002-11-27 EP disclosed
US-20020041996-A1 Battery having active material containing neutral carbon radical compound NEC CORPORATION (JP) 2002-04-11 US disclosed
CN-1245581-A Organic light emitting device containing protection layer UNIV PRINCETON (US) 2000-02-23 CN disclosed
EP-0950254-A1 AN ORGANIC LIGHT EMITTING DEVICE CONTAINING A PROTECTION LAYER THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1999-10-20 EP disclosed
US-5922396-A Electron transporting and light emitting layers based on organic free radicals THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1999-07-13 US disclosed
WO-1998028767-A9 AN ORGANIC LIGHT EMITTING DEVICE CONTAINING A PROTECTION LAYER 1998-11-05 WO disclosed
US-5811833-A Electron transporting and light emitting layers based on organic free radicals UNIVERSITY OF SO. CA (US) 1998-09-22 US disclosed
WO-1998028767-A1 AN ORGANIC LIGHT EMITTING DEVICE CONTAINING A PROTECTION LAYER THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1998-07-02 WO disclosed