SCHEMBL17720985

SCHEMBL17720985

c1ccc(-c2ncc(-c3cccc(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5-c5cccc(-c6cnc(-c7ccccc7)nc6)c5)n4)c3)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
HPGDS O60760 11/20 0.45
ADORA3 P0DMS8 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL17721028 0.89 NPC1 (0.53) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL17720957 0.88 ADORA2A (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL17720961 0.88 ADORA2A (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL17720959 0.86 MEN1 (0.47) NPC1RAB9ASMN1; SMN2ADORA3ALOX15
SCHEMBL17720963 0.86 ADORA2A (0.46) NPC1RAB9AADORA3ALOX15TSHR
SCHEMBL19762172 0.86 ADORA2A (0.46) ADORA3ALOX15TSHRADORA2AADORA2B
SCHEMBL19762183 0.86 ADORA2A (0.46) ADORA3ALOX15TSHRADORA2AADORA2B
SCHEMBL19762106 0.86 ADORA2A (0.46) ADORA3ALOX15TSHRADORA2AADORA2B
SCHEMBL18270317 0.86 ADORA2A (0.46) NPC1RAB9AADORA3ALOX15TSHR
SCHEMBL24689882 0.86 ADORA2A (0.49) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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-11145820-B2 Organic optoelectronic device and display device SAMSUNG SDI CO., LTD. (KR) 2021-10-12 US disclosed
US-10193081-B2 Organic compound for optoelectric device and composition for optoelectric device and organic optoelectric device and display device SAMSUNG SDI CO., LTD. (KR) 2019-01-29 US disclosed
US-20170331067-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY APPARATUS SAMSUNG SDI CO., LTD. (KR) 2017-11-16 US disclosed
US-20170331067-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY APPARATUS SAMSUNG SDI CO., LTD. (KR) 2017-11-16 US disclosed
US-20170309829-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-10-26 US disclosed
US-20170309829-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-10-26 US disclosed
US-20170222158-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-08-03 US disclosed
US-20170222158-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-08-03 US disclosed
US-20170200902-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE CONTAINING SAME, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-07-13 US disclosed
US-20170200902-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE CONTAINING SAME, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-07-13 US disclosed
US-20170098778-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE, ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-04-06 US disclosed
US-20170098778-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE, ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-04-06 US disclosed
US-20170092873-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-03-30 US disclosed
US-20170092873-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-03-30 US disclosed
US-20170084845-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-03-23 US disclosed
US-20170084845-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-03-23 US disclosed
US-20160126477-A1 ORGANIC COMPOUND FOR OPTOELECTRIC DEVICE AND COMPOSITION FOR OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-05-05 US disclosed
US-20160126477-A1 ORGANIC COMPOUND FOR OPTOELECTRIC DEVICE AND COMPOSITION FOR OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-05-05 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 (10 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-20170092873-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OR10J3, OR51E2, OCIAD1 NPC1 2829/4885RAB9A 2846/4885SMN1; SMN2 4394/4885
US-20170200902-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE CONTAINING SAME, AND DISPLAY DEVICE OR10J3, OR51E2, OXER1 NPC1 2255/4885RAB9A 3066/4885SMN1; SMN2 4089/4885
US-20170222158-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OCIAD2, OCIAD1, AOX1 NPC1 671/4885RAB9A 2368/4885SMN1; SMN2 4752/4885
US-20170331067-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY APPARATUS ALDH1A2, AOX1, AOC2 NPC1 727/4885RAB9A 2621/4885SMN1; SMN2 4832/4885
US-20160126477-A1 ORGANIC COMPOUND FOR OPTOELECTRIC DEVICE AND COMPOSITION FOR OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE OXER1, OCIAD2, OCIAD1 NPC1 2254/4885RAB9A 3717/4885SMN1; SMN2 4381/4885
US-20170309829-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE OCIAD2, OCIAD1, OR10J3 NPC1 2486/4885RAB9A 3561/4885SMN1; SMN2 3997/4885
US-20170098778-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE, ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE OXER1, OR10J3, OCIAD1 NPC1 3383/4885RAB9A 2578/4885SMN1; SMN2 4691/4885
US-20170084845-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OCIAD1, OCIAD2, OR10J3 NPC1 398/4885RAB9A 2250/4885SMN1; SMN2 4648/4885
US-10193081-B2 Organic compound for optoelectric device and composition for optoelectric device and organic optoelectric device and display device OXER1, OCIAD2, OCIAD1 NPC1 2254/4885RAB9A 3717/4885SMN1; SMN2 4381/4885
US-11145820-B2 Organic optoelectronic device and display device OCIAD2, OCIAD1, AOX1 NPC1 671/4885RAB9A 2368/4885SMN1; SMN2 4752/4885

“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.