SCHEMBL666868

SCHEMBL666868

CCCCC(CC)COc1cc(CBr)c(OC)cc1CBr

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.43
TAAR1 Q96RJ0 1/20 0.39
CYP3A4 P08684 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL1354131 0.94 CYP3A4 (0.41) HTR2ACYP3A4L3MBTL1
SCHEMBL13141996 0.88 TAAR1 (0.47) HTR2ATAAR1CYP3A4L3MBTL1
SCHEMBL3475893 0.87 ALDH1A1 (0.41) HTR2ACYP3A4L3MBTL1
SCHEMBL7743891 0.86 HTR2A (0.40) HTR2ATAAR1CYP3A4L3MBTL1
SCHEMBL1031784 0.86 HTR2A (0.40) HTR2ATAAR1CYP3A4L3MBTL1
SCHEMBL7745907 0.86 HTR2A (0.40) HTR2ATAAR1CYP3A4L3MBTL1
SCHEMBL27635178 0.84 HTR2A (0.43) HTR2ATAAR1CYP3A4
SCHEMBL6763498 0.82 HTR2A (0.37) HTR2ACYP3A4L3MBTL1
SCHEMBL23201542 0.82 CYP3A4 (0.47) TAAR1CYP3A4L3MBTL1
SCHEMBL10375177 0.82 CYP3A4 (0.43) CYP3A4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6426399-B1 POLYMERIZING DIBROMO-2-METHOXY-5-(2-ETHYLHEXYLOXY)XYLENE WITH POTASSIUM TERT-BUTOXIDE AND ANIONIC INITIATOR WHICH CONTROLS THE MOLECULAR WEIGHT DISTRIBUTION OF THE POLYMER; FOR USE IN LIGHT-EMITTING-DIODES, TRANSISTORS AND PHOTOVOLTAIC CELLS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-07-30 US claimed
US-20020061420-A1 Electroluminescent polymer having fluorene pendant and electroluminescent device using the same SAMSUNG SDI CO., LTD. 2002-05-23 US claimed
US-12152182-B2 Polymer nanoparticles for afterglow molecular imaging NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2024-11-26 US disclosed
US-20210087463-A1 POLYMER NANOPARTICLES FOR AFTERGLOW MOLECULAR IMAGING NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2021-03-25 US disclosed
WO-2019027370-A1 POLYMER NANOPARTICLES FOR AFTERGLOW MOLECULAR IMAGING NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2019-02-07 WO disclosed
US-20140187716-A1 PROCESS FOR THE SYNTHESIS OF CONJUGATED POLYMERS THE UNIVERSITY OF MELBOURNE (AU) 2014-07-03 US disclosed
EP-2731974-A1 PROCESS FOR THE SYNTHESIS OF CONJUGATED POLYMERS The University of Melbourne (AU) 2014-05-21 EP disclosed
WO-2013010209-A1 PROCESS FOR THE SYNTHESIS OF CONJUGATED POLYMERS THE UNIVERSITY OF MELBOURNE (AU) 2013-01-24 WO disclosed
US-8298830-B2 Organic materials able to detect analytes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-10-30 US disclosed
US-20120043555-A1 LIQUID FLUORESCENT COMPOSITION AND LIGHT EMITTING DEVICE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-02-23 US disclosed
US-20120043555-A1 LIQUID FLUORESCENT COMPOSITION AND LIGHT EMITTING DEVICE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-02-23 US disclosed
WO-2004031860-A2 PLANAR INORGANIC DEVICE 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-04-15 WO disclosed
WO-2004031862-A1 MULTI-PHOTON REACTIVE COMPOSITIONS WITH INORGANIC PARTICLES AND METHOD FOR FABRICATING STRUCTURES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-04-15 WO disclosed
US-20040067450-A1 Planar inorganic device 3M INNOVATIVE PROPERTIES COMPANY 2004-04-08 US disclosed
US-20040068023-A1 Multi-photon reactive compositons with inorganic particles and method for fabricating structures 3M INNOVATIVE PROPERTIES COMPANY 2004-04-08 US disclosed
US-6693158-B2 ORGANONITROGEN, ORGANOOXYGEN POLYMER NATIONAL SCIENCE COUNCIL (TW) 2004-02-17 US disclosed
US-20030109656-A1 Electroluminiscent conjugated polymers modified with high eletronegative heterocyclic moieties and their applications in polymeric light emitting diodes NATIONAL SCIENCE COUNCIL TAIWAN CORPORATION (TW) 2003-06-12 US disclosed
US-6495644-B1 CONTAINING HETEROCYCLIC GROUPS SUCH AS 1,3,4-OXADIAZOLE-DIYL, 1,3,4-THIADIAZOLE-DIYL AND 1,2,4-TRIAZOLE-DIYL; HIGH EXTERNAL QUANTUM EFFICIENCY NATIONAL SCIENCE COUNCIL (TW) 2002-12-17 US disclosed
US-6426399-B1 POLYMERIZING DIBROMO-2-METHOXY-5-(2-ETHYLHEXYLOXY)XYLENE WITH POTASSIUM TERT-BUTOXIDE AND ANIONIC INITIATOR WHICH CONTROLS THE MOLECULAR WEIGHT DISTRIBUTION OF THE POLYMER; FOR USE IN LIGHT-EMITTING-DIODES, TRANSISTORS AND PHOTOVOLTAIC CELLS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-07-30 US disclosed
US-20020061420-A1 Electroluminescent polymer having fluorene pendant and electroluminescent device using the same SAMSUNG SDI CO., LTD. 2002-05-23 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 (2 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-12152182-B2 Polymer nanoparticles for afterglow molecular imaging CD68, ALG1, MB HTR2A 2728/4885TAAR1 1547/4885CYP3A4 4425/4885
US-20210087463-A1 POLYMER NANOPARTICLES FOR AFTERGLOW MOLECULAR IMAGING CD68, ALG1, MB HTR2A 2728/4885TAAR1 1547/4885CYP3A4 4425/4885

“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.