SCHEMBL669172

SCHEMBL669172

CC(C)(C)c1ccc(-c2nnc(-c3cc(O)c(-c4nnc(-c5cccc(Oc6ccc(-n7c(-c8ccccc8O)nc(-c8ccccc8)c7-c7ccccc7)cc6)c5)o4)cc3O)o2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
S1PR1 P21453 1/20 0.38
TP53 P04637 2/20 0.36
PTPN1 P18031 3/20 0.36
PTPN2 P17706 1/20 0.36
ATR Q13535 1/20 0.35
GUSB P08236 1/20 0.35
CASP3 P42574 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
SCHEMBL668184 0.92 NPC1 (0.40) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL10067554 0.83 NPC1 (0.33) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL15424995 0.82 NPC1 (0.35) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL668728 0.77 S1PR1 (0.50) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL667896 0.75 BCHE (0.46) MAPTNPSR1FABP4FABP5MGAM
SCHEMBL10025663 0.74 BCHE (0.44) MAPTNPC1NPSR1FABP4FABP5
SCHEMBL669405 0.73 NPC1 (0.49) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL668731 0.73 BCHE (0.46) ALDH1A1MAPTCYP1A2CYP2C19SMN1; SMN2
SCHEMBL31035781 0.71 BCHE (0.56) MAPTMEN1KMT2AMGAMGAA
SCHEMBL668716 0.69 GAA (0.54) KDM4EALDH1A1MAPTNPC1RAB9A

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 KDM4E 1814/4885ALDH1A1 2369/4885MAPT 35/4885

“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.