SCHEMBL668728

SCHEMBL668728

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.50
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 7/20 0.48
MAPT P10636 5/20 0.48
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
HPGD P15428 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD17B10 Q99714 4/20 0.47
TP53 P04637 3/20 0.47
POLB P06746 3/20 0.47
PTPN1 P18031 3/20 0.46
PTPN2 P17706 1/20 0.46
MAPK1 P28482 1/20 0.46
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KMT2A Q03164 2/20 0.42

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
SCHEMBL667569 0.89 ALDH1A1 (0.49) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL669405 0.85 NPC1 (0.49) S1PR1KDM4EALDH1A1MAPTNPC1
SCHEMBL669171 0.79 S1PR1 (0.61) S1PR1KDM4EALDH1A1MAPTNPC1
SCHEMBL669172 0.77 KDM4E (0.41) S1PR1KDM4EALDH1A1MAPTNPC1
SCHEMBL9341569 0.76 NPC1 (0.62) S1PR1KDM4EALDH1A1MAPTNPC1
SCHEMBL1012437 0.76 NPC1 (0.78) S1PR1KDM4EALDH1A1MAPTNPC1
SCHEMBL968010 0.75 NPC1 (0.76) S1PR1KDM4EALDH1A1MAPTNPC1
SCHEMBL969333 0.74 S1PR1 (0.58) S1PR1KDM4EALDH1A1MAPTNPC1
SCHEMBL30083 0.74 NPC1 (0.62) S1PR1KDM4EALDH1A1MAPTNPC1
SCHEMBL967890 0.73 NPC1 (0.54) S1PR1KDM4EALDH1A1MAPTNPC1

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 S1PR1 3773/4885KDM4E 1814/4885ALDH1A1 2369/4885

“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.