SCHEMBL669405

SCHEMBL669405

CC(C)(C)c1ccc(-c2nnc(-c3cc(O)c(-c4nnc(-c5cccc(Oc6ccc([N+](=O)[O-])cc6)c5)o4)cc3O)o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
PTPN1 P18031 2/20 0.44
GUSB P08236 1/20 0.44
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL668877 0.90 RAB9A (0.56) NPC1RAB9ACASP3SENP7CA1
SCHEMBL668728 0.85 S1PR1 (0.50) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL668983 0.83 MAPT (0.45) NPC1RAB9ACASP3SENP7CA1
SCHEMBL669171 0.75 S1PR1 (0.61) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL667569 0.73 ALDH1A1 (0.49) NPC1RAB9ACASP3SENP7CA1
SCHEMBL669172 0.73 KDM4E (0.41) NPC1RAB9ACASP3SENP7ALDH1A1
SCHEMBL669689 0.73 NPC1 (0.48) NPC1RAB9ACASP3SENP7CA1
SCHEMBL9341569 0.73 NPC1 (0.62) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL1012437 0.72 NPC1 (0.78) NPC1RAB9ACASP3SENP7ALDH1A1
SCHEMBL4670068 0.71 HSPB1 (0.59) NPC1RAB9AALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9106057-B2 White-emitting monomolecular compound using excited-state intramolecular proton transfer, organic electroluminescent element and laser device using the same DONGWOO FINE-CHEM CO. LTD. (KR) 2015-08-11 US disclosed
US-9106057-B2 White-emitting monomolecular compound using excited-state intramolecular proton transfer, organic electroluminescent element and laser device using the same DONGWOO FINE-CHEM CO. LTD. (KR) 2015-08-11 US disclosed
US-9106057-B2 White-emitting monomolecular compound using excited-state intramolecular proton transfer, organic electroluminescent element and laser device using the same DONGWOO FINE-CHEM CO. LTD. (KR) 2015-08-11 US disclosed
US-9077155-B2 White-emitting monomolecular compound using excited-state intramolecular proton transfer, organic electroluminescent element and laser device using the same DONGWOO FINE-CHEM CO. LTD. (KR) 2015-07-07 US disclosed
US-9077155-B2 White-emitting monomolecular compound using excited-state intramolecular proton transfer, organic electroluminescent element and laser device using the same DONGWOO FINE-CHEM CO. LTD. (KR) 2015-07-07 US disclosed
US-9077155-B2 White-emitting monomolecular compound using excited-state intramolecular proton transfer, organic electroluminescent element and laser device using the same DONGWOO FINE-CHEM CO. LTD. (KR) 2015-07-07 US disclosed
US-9024036-B2 White-emitting monomolecular compound using excited-state intramolecular proton transfer, organic electroluminescent element and laser device using the same DONGWOO FINE-CHEM CO. LTD. (KR) 2015-05-05 US disclosed
US-9024036-B2 White-emitting monomolecular compound using excited-state intramolecular proton transfer, organic electroluminescent element and laser device using the same DONGWOO FINE-CHEM CO. LTD. (KR) 2015-05-05 US disclosed
US-9024036-B2 White-emitting monomolecular compound using excited-state intramolecular proton transfer, organic electroluminescent element and laser device using the same DONGWOO FINE-CHEM CO. LTD. (KR) 2015-05-05 US disclosed
US-20140018543-A1 WHITE-EMITTING MONOMOLECULAR COMPOUND USING EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER, ORGANIC ELECTROLUMINESCENT ELEMENT AND LASER DEVICE USING THE SAME SNU R&DB FOUNDATION (KR) 2014-01-16 US disclosed
US-20140018543-A1 WHITE-EMITTING MONOMOLECULAR COMPOUND USING EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER, ORGANIC ELECTROLUMINESCENT ELEMENT AND LASER DEVICE USING THE SAME SNU R&DB FOUNDATION (KR) 2014-01-16 US disclosed
US-20140018543-A1 WHITE-EMITTING MONOMOLECULAR COMPOUND USING EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER, ORGANIC ELECTROLUMINESCENT ELEMENT AND LASER DEVICE USING THE SAME SNU R&DB FOUNDATION (KR) 2014-01-16 US disclosed
US-8569510-B2 White-emitting compounds using excited-state intramolecular proton transfer, organic electroluminescent element and laser material using the same DONGWOO FINE-CHEM CO. LTD. (KR) 2013-10-29 US disclosed
US-8569510-B2 White-emitting compounds using excited-state intramolecular proton transfer, organic electroluminescent element and laser material using the same DONGWOO FINE-CHEM CO. LTD. (KR) 2013-10-29 US disclosed
US-8569510-B2 White-emitting compounds using excited-state intramolecular proton transfer, organic electroluminescent element and laser material using the same DONGWOO FINE-CHEM CO. LTD. (KR) 2013-10-29 US disclosed
US-20120046472-A1 WHITE-EMITTING COMPOUNDS USING EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER, ORGANIC ELECTROLUMINESCENT ELEMENT AND LASER MATERIAL USING THE SAME SNU R&DB FOUNDATION (KR) 2012-02-23 US disclosed
US-20120046472-A1 WHITE-EMITTING COMPOUNDS USING EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER, ORGANIC ELECTROLUMINESCENT ELEMENT AND LASER MATERIAL USING THE SAME SNU R&DB FOUNDATION (KR) 2012-02-23 US disclosed
US-20120046472-A1 WHITE-EMITTING COMPOUNDS USING EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER, ORGANIC ELECTROLUMINESCENT ELEMENT AND LASER MATERIAL USING THE SAME SNU R&DB FOUNDATION (KR) 2012-02-23 US disclosed
WO-2010123266-A2 WHITE-LIGHT EMISSION MONOMOLECULAR COMPOUND USING EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER CHARACTERISTICS, AND ORGANIC ELECTROLUMINESCENCE DEVICE AND LASER DEVICE COMPRISING SAME 동우화인켐 주식회사 (KR) 2010-10-28 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 (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-20120046472-A1 WHITE-EMITTING COMPOUNDS USING EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER, ORGANIC ELECTROLUMINESCENT ELEMENT AND LASER MATERIAL USING THE SAME ICMT, INCENP, TRMT1 NPC1 2155/4885RAB9A 1004/4885CASP3 4556/4885

“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.