SCHEMBL969333

SCHEMBL969333

CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)c(O)c3)o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.58
KDM4E B2RXH2 4/20 0.55
SNCA P37840 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 3/20 0.55
CYP1A2 P05177 1/20 0.55
POLB P06746 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPT P10636 2/20 0.51
NR1H4 Q96RI1 1/20 0.48
S1PR4 O95977 1/20 0.47
S1PR5 Q9H228 1/20 0.47
PTPN1 P18031 3/20 0.46
PTPN2 P17706 1/20 0.46
TP53 P04637 1/20 0.46
EGFR P00533 1/20 0.44
GUSB P08236 2/20 0.43
PLAT P00750 1/20 0.43

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
SCHEMBL669171 0.90 S1PR1 (0.61) S1PR1KDM4ESNCANPC1RAB9A
SCHEMBL12948087 0.89 S1PR1 (0.49) S1PR1KDM4ESNCANPC1RAB9A
SCHEMBL12948080 0.89 S1PR1 (0.49) S1PR1KDM4ESNCANPC1RAB9A
SCHEMBL27800939 0.86 KDM4E (0.74) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL2623780 0.83 NPC1 (0.75) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL3293191 0.83 NPC1 (0.75) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL3080652 0.82 S1PR1 (0.53) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL969124 0.82 KDM4E (0.64) S1PR1KDM4ESNCANPC1RAB9A
SCHEMBL4017705 0.82 KDM4E (0.64) S1PR1KDM4ESNCANPC1RAB9A
SCHEMBL12427246 0.81 NPC1 (0.68) S1PR1KDM4ENPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9954147-B2 Optoelectronic device, use of a dual emitter as wavelength conversion material OSRAM OLED GMBH (DE) 2018-04-24 US disclosed
US-9954147-B2 Optoelectronic device, use of a dual emitter as wavelength conversion material OSRAM OLED GMBH (DE) 2018-04-24 US disclosed
US-20170324007-A1 Optoelectronic Device, Use of a Dual Emitter as Wavelength Conversion Material OSRAM OLED GMBH (DE) 2017-11-09 US disclosed
US-20170324007-A1 Optoelectronic Device, Use of a Dual Emitter as Wavelength Conversion Material OSRAM OLED GMBH (DE) 2017-11-09 US disclosed
US-20170125695-A1 ORGANIC OPTOELECTRONIC APPARATUS DOLYA HOLDCO 5 LIMITED (IE) 2017-05-04 US disclosed
US-20170125695-A1 ORGANIC OPTOELECTRONIC APPARATUS DOLYA HOLDCO 5 LIMITED (IE) 2017-05-04 US disclosed
WO-2015140110-A1 ORGANIC OPTOELECTRONIC APPARATUS OSRAM OLED GMBH (DE) 2015-09-24 WO disclosed
US-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety GEORGIA TECH RESEARCH CORPORATION (US) 2011-01-13 US disclosed
US-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety GEORGIA TECH RESEARCH CORPORATION (US) 2011-01-13 US disclosed
EP-2234991-A1 ROMP-POLYMERIZABLE ELECTRON TRANSPORT MATERIALS BASED ON A BIS-OXADIAZOLE MOIETY Georgia Tech Research Corporation (US) 2010-10-06 EP disclosed
WO-2009080797-A1 ROMP-POLYMERIZABLE ELECTRON TRANSPORT MATERIALS BASED ON A BIS-OXADIAZOLE MOIETY GEORGIA TECH RESEARCH CORPORATION (US) 2009-07-02 WO disclosed
WO-2009080797-A1 ROMP-POLYMERIZABLE ELECTRON TRANSPORT MATERIALS BASED ON A BIS-OXADIAZOLE MOIETY GEORGIA TECH RESEARCH CORPORATION (US) 2009-07-02 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-20170324007-A1 Optoelectronic Device, Use of a Dual Emitter as Wavelength Conversion Material DCX, INF2, XPO6 S1PR1 4641/4885KDM4E 2741/4885SNCA 2170/4885
US-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety SLCO1B3, SLCO4C1, SLCO2B1 S1PR1 4412/4885KDM4E 4711/4885SNCA 4408/4885

“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.