SCHEMBL12354585

SCHEMBL12354585

CC(C)(C)c1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccccc5)o4)c3)o2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.61
NPC1 O15118 13/20 0.60
RAB9A P51151 13/20 0.60
SMN1; SMN2 Q16637 9/20 0.60
HPGD P15428 5/20 0.60
TSHR P16473 3/20 0.60
KDM4E B2RXH2 4/20 0.58
POLB P06746 3/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
TP53 P04637 4/20 0.56
EGFR P00533 1/20 0.56
MECP2 P51608 1/20 0.56
NPSR1 Q6W5P4 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAOB P27338 1/20 0.51
MAPT P10636 2/20 0.50

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
SCHEMBL1421139 0.97 S1PR1 (0.58) S1PR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL30083 0.97 NPC1 (0.62) S1PR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL12306756 0.95 NPC1 (0.60) S1PR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2839508 0.93 S1PR1 (0.69) S1PR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL12306751 0.92 NPC1 (0.60) S1PR1NPC1RAB9ASMN1; SMN2HPGD
Biphenyl SCHEMBL28899764 0.91 S1PR1 (0.67) S1PR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL74782 0.91 S1PR1 (0.67) S1PR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28982567 0.91 S1PR1 (0.67) S1PR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL8385439 0.91 S1PR1 (0.67) S1PR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2623779 0.91 S1PR1 (0.67) S1PR1NPC1RAB9ASMN1; SMN2HPGD

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657040-B2 Cyclic siloxane compound, organic electroluminescence device, and use of the same SAMSUNG ELECTRONICS CO., LTD (KR) 2017-05-23 US disclosed
US-9657040-B2 Cyclic siloxane compound, organic electroluminescence device, and use of the same SAMSUNG ELECTRONICS CO., LTD (KR) 2017-05-23 US disclosed
EP-2083013-B1 CYCLIC SILOXANE COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND USE THEREOF SAMSUNG ELECTRONICS CO LTD (KR) 2016-01-06 EP disclosed
US-8735875-B2 Light emitting element, method for manufacturing light emitting element, image display device, and illuminating device SHOWA DENKO K.K. (JP) 2014-05-27 US disclosed
US-8735875-B2 Light emitting element, method for manufacturing light emitting element, image display device, and illuminating device SHOWA DENKO K.K. (JP) 2014-05-27 US disclosed
US-8721922-B2 Printable light-emitting compositions NITTO DENKO CORPORATION (JP) 2014-05-13 US disclosed
US-20120305895-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2012-12-06 US disclosed
US-20120273765-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2012-11-01 US disclosed
US-20120267614-A1 LIGHT EMITTING ELEMENT, METHOD FOR MANUFACTURING LIGHT EMITTING ELEMENT, IMAGE DISPLAY DEVICE, AND ILLUMINATING DEVICE SHOWA DENKO K.K. (JP) 2012-10-25 US disclosed
US-20120267614-A1 LIGHT EMITTING ELEMENT, METHOD FOR MANUFACTURING LIGHT EMITTING ELEMENT, IMAGE DISPLAY DEVICE, AND ILLUMINATING DEVICE SHOWA DENKO K.K. (JP) 2012-10-25 US disclosed
US-20100060150-A1 CYCLIC SILOXANE COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND USE OF THE SAME SAMSUNG ELECTRONICS CO., LTD (KR) 2010-03-11 US disclosed
US-20100060150-A1 CYCLIC SILOXANE COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND USE OF THE SAME SAMSUNG ELECTRONICS CO., LTD (KR) 2010-03-11 US disclosed
EP-2083013-A1 CYCLIC SILOXANE COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND USE THEREOF Showa Denko K.K. (JP) 2009-07-29 EP disclosed
US-20090179552-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2009-07-16 US disclosed
US-20090066234-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2009-03-12 US disclosed
WO-2009006550-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2009-01-08 WO disclosed
EP-1664237-B1 PHOSPHORESCENT POLYMER COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME SHOWA DENKO KK (JP) 2008-10-08 EP disclosed
US-20070155928-A1 Phosphorescent polymer compound and organic light emitting device using the same SHOWDA DENKO K.K. 2007-07-05 US disclosed
US-20070155928-A1 Phosphorescent polymer compound and organic light emitting device using the same SHOWDA DENKO K.K. 2007-07-05 US disclosed
US-20070111029-A1 FLUORENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2007-05-17 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 (5 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-20090066234-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS MAP1LC3A, MAP1LC3C, CRY1 S1PR1 4808/4885NPC1 3835/4885RAB9A 962/4885
US-20120305895-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS ILK, CRY1, IK S1PR1 4813/4885NPC1 3013/4885RAB9A 512/4885
US-20090179552-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS CYBA, LIMA1, CRY1 S1PR1 4772/4885NPC1 3302/4885RAB9A 850/4885
US-20120273765-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS CYBA, LIMA1, CRY1 S1PR1 4772/4885NPC1 3302/4885RAB9A 850/4885
US-20100060150-A1 CYCLIC SILOXANE COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND USE OF THE SAME TMEM109, EPCAM, TRPM2 S1PR1 520/4885NPC1 1358/4885RAB9A 1496/4885

“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.