SCHEMBL668184

SCHEMBL668184

Oc1cc(-c2nnc(-c3cccc(Oc4ccc(-n5c(-c6ccccc6O)nc(-c6ccccc6)c5-c5ccccc5)cc4)c3)o2)c(O)cc1-c1nnc(-c2cccc(Oc3ccc(-n4c(-c5ccccc5O)nc(-c5ccccc5)c4-c4ccccc4)cc3)c2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
ATR Q13535 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
FABP4 P15090 3/20 0.36
FABP5 Q01469 2/20 0.36
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
TOP2A P11388 3/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL669172 0.92 KDM4E (0.41) NPC1RAB9AATRKDM4EHSD17B10
SCHEMBL10067554 0.90 NPC1 (0.33) NPC1RAB9ABCHEACHEATR
SCHEMBL15424995 0.87 NPC1 (0.35) NPC1RAB9ABCHEACHEATR
SCHEMBL667896 0.81 BCHE (0.46) BCHEACHEFABP4FABP5MGAM
SCHEMBL668731 0.79 BCHE (0.46) BCHEACHEALDH1A1SMN1; SMN2MGAM
SCHEMBL10025663 0.79 BCHE (0.44) NPC1BCHEACHEFABP4FABP5
SCHEMBL31035781 0.75 BCHE (0.56) BCHEACHEMGAMGAASI
SCHEMBL668695 0.75 BCHE (0.62) RAB9ABCHEACHEHSD17B10ALDH1A1
SCHEMBL668716 0.74 GAA (0.54) NPC1RAB9ABCHEACHEKDM4E
SCHEMBL10025664 0.73 BCHE (0.39) BCHEACHEMGAMGAASI

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 18 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

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 1004/4885BCHE 3596/4885

“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.