SCHEMBL2623779

SCHEMBL2623779

CC(C)(C)c1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.67
NPC1 O15118 13/20 0.64
RAB9A P51151 13/20 0.64
KDM4E B2RXH2 4/20 0.64
SMN1; SMN2 Q16637 7/20 0.63
HPGD P15428 6/20 0.61
POLB P06746 2/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
TP53 P04637 2/20 0.60
EGFR P00533 1/20 0.60
ALDH1A1 P00352 4/20 0.59
GLA P06280 1/20 0.59
MAPT P10636 1/20 0.59
ALOX15 P16050 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NR1H4 Q96RI1 1/20 0.54

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
SCHEMBL74782 1.00 S1PR1 (0.67) S1PR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL28982567 1.00 S1PR1 (0.67) S1PR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL8385439 1.00 S1PR1 (0.67) S1PR1NPC1RAB9AKDM4ESMN1; SMN2
Biphenyl SCHEMBL28899764 1.00 S1PR1 (0.67) S1PR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL36912 1.00 S1PR1 (0.67) S1PR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2839508 0.98 S1PR1 (0.69) S1PR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1104799 0.92 NPC1 (0.72) S1PR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL6296907 0.92 NPC1 (0.72) S1PR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1421139 0.92 S1PR1 (0.58) S1PR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL12354585 0.91 S1PR1 (0.61) S1PR1NPC1RAB9AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148428-A1 ORGANIC LIGHT EMITTING DEVICE WITH THERMALLY ACTIVATED DELAYED FLUORESCENT LIGHT EMITTING MATERIAL COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-05-31 US disclosed
US-9859504-B2 Diamine compounds for phosphorescent diazaborole metal complexes and electroluminescent devices COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-01-02 US disclosed
US-9768397-B2 Phenylenediamine compounds for phosphorescent diazaborole metal complexes COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2017-09-19 US disclosed
US-9768397-B2 Phenylenediamine compounds for phosphorescent diazaborole metal complexes COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2017-09-19 US disclosed
US-9520574-B2 Electroluminescent devices based on phosphorescent iridium and related group VIII metal multicyclic compounds COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-12-13 US disclosed
US-9520574-B2 Electroluminescent devices based on phosphorescent iridium and related group VIII metal multicyclic compounds COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-12-13 US disclosed
US-9435021-B2 Co-deposition methods for the fabrication of organic optoelectronic devices UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-09-06 US disclosed
US-9435021-B2 Co-deposition methods for the fabrication of organic optoelectronic devices UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-09-06 US disclosed
US-20150280144-A1 PHENYLENEDIAMINE COMPOUNDS FOR PHOSPHORESCENT DIAZABOROLE METAL COMPLEXES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2015-10-01 US disclosed
US-20150280144-A1 PHENYLENEDIAMINE COMPOUNDS FOR PHOSPHORESCENT DIAZABOROLE METAL COMPLEXES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2015-10-01 US disclosed
US-20130082248-A1 ELECTROLUMINESCENT DEVICES BASED ON PHOSPHORESCENT IRIDIUM AND RELATED GROUP VIII METAL MULTICYCLIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2013-04-04 US disclosed
US-20120261650-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2012-10-18 US disclosed
US-20120261650-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2012-10-18 US disclosed
US-20120091884-A1 HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AT) 2012-04-19 US disclosed
US-20120091884-A1 HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AT) 2012-04-19 US disclosed
US-20120045862-A1 CO-DEPOSITION METHODS FOR THE FABRICATION OF ORGANIC OPTOELECTRONIC DEVICES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-02-23 US disclosed
US-20120045862-A1 CO-DEPOSITION METHODS FOR THE FABRICATION OF ORGANIC OPTOELECTRONIC DEVICES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-02-23 US disclosed
WO-2012016074-A1 CO-DEPOSITION METHODS FOR THE FABRICATION OF ORGANIC OPTOELECTRONIC DEVICES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-02-02 WO disclosed
WO-2011134013-A1 ELECTROLUMINESCENT DEVICES BASED ON PHOSPHORESCENT IRIDIUM AND RELATED GROUP VIII METAL MULTICYCLIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2011-11-03 WO disclosed
WO-2010132953-A1 HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-11-25 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 (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-20150280144-A1 PHENYLENEDIAMINE COMPOUNDS FOR PHOSPHORESCENT DIAZABOROLE METAL COMPLEXES DDT, PNMT, DDC S1PR1 4621/4885NPC1 4549/4885RAB9A 1621/4885
US-20120091884-A1 HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE HSD17B2, CYP1A2, HSD17B1 S1PR1 3633/4885NPC1 3789/4885RAB9A 2062/4885
US-20180148428-A1 ORGANIC LIGHT EMITTING DEVICE WITH THERMALLY ACTIVATED DELAYED FLUORESCENT LIGHT EMITTING MATERIAL OCIAD1, OCIAD2, TRPA1 S1PR1 4645/4885NPC1 1416/4885RAB9A 1372/4885
US-20130082248-A1 ELECTROLUMINESCENT DEVICES BASED ON PHOSPHORESCENT IRIDIUM AND RELATED GROUP VIII METAL MULTICYCLIC COMPOUNDS ICOSLG, ETV6, ROS1 S1PR1 3390/4885NPC1 4702/4885RAB9A 130/4885
US-20120261650-A1 ORGANIC ELECTROLUMINESCENT DEVICE EBPL, PAICS, CCNL2 S1PR1 4642/4885NPC1 4836/4885RAB9A 2931/4885

“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.