SCHEMBL69280

SCHEMBL69280

BrCCOc1ccc(C(=C(c2ccccc2)c2ccc(OCCBr)cc2)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.60
CYP19A1 P11511 5/20 0.60
ESR2 Q92731 4/20 0.60
PSMB1 P20618 2/20 0.55
PSMB5 P28074 2/20 0.55
PKM P14618 1/20 0.52
GAA P10253 1/20 0.51
CYP3A4 P08684 2/20 0.51
KCNH2 Q12809 3/20 0.51
EBP Q15125 3/20 0.51
SIGMAR1 Q99720 3/20 0.51
CHRM2 P08172 3/20 0.51
ADRA2A P08913 3/20 0.51
ADORA3 P0DMS8 3/20 0.51
CHRM1 P11229 3/20 0.51
PTGS1 P23219 3/20 0.51
SLC6A2 P23975 3/20 0.51
SLC6A4 P31645 3/20 0.51
DRD3 P35462 3/20 0.51
HTR6 P50406 3/20 0.51

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
SCHEMBL69279 1.00 ESR1 (0.60) ESR1CYP19A1ESR2PSMB1PSMB5
SCHEMBL67013 0.92 ESR1 (0.49) ESR1CYP19A1ESR2PSMB1PSMB5
SCHEMBL12659242 0.91 ESR1 (0.58) ESR1CYP19A1ESR2PSMB1PSMB5
SCHEMBL28024560 0.91 ESR1 (0.58) ESR1CYP19A1ESR2PSMB1PSMB5
SCHEMBL30879984 0.91 ESR1 (0.58) ESR1CYP19A1ESR2PSMB1PSMB5
SCHEMBL29522639 0.89 ESR1 (0.57) ESR1CYP19A1ESR2PSMB1PSMB5
SCHEMBL7654138 0.85 CYP19A1 (0.74) ESR1CYP19A1ESR2PSMB1PSMB5
SCHEMBL11268363 0.85 CYP19A1 (0.74) ESR1CYP19A1ESR2PSMB1PSMB5
SCHEMBL10796202 0.85 CYP19A1 (0.74) ESR1CYP19A1ESR2PSMB1PSMB5
SCHEMBL6338785 0.85 GAA (0.72) PKMGAAMAPTKDM4EHTT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9518921-B2 Silica nanoparticles with aggregation induced emission characteristics as fluorescent bioprobe for intracellular imaging and protein carrier THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (HK) 2016-12-13 US disclosed
US-9518921-B2 Silica nanoparticles with aggregation induced emission characteristics as fluorescent bioprobe for intracellular imaging and protein carrier THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (HK) 2016-12-13 US disclosed
US-9518921-B2 Silica nanoparticles with aggregation induced emission characteristics as fluorescent bioprobe for intracellular imaging and protein carrier THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (HK) 2016-12-13 US disclosed
US-9279806-B2 Water-soluble AIE luminogens for monitoring and retardation of fibrillation of amyloid proteins THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-03-08 US disclosed
US-20150031607-A1 WATER-SOLUBLE AIE LUMINOGENS FOR MONITORING AND RETARDATION OF FIBRILLATION OF AMYLOID PROTEINS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-01-29 US disclosed
US-20140255696-A1 Biotin-Decorated Fluorescent Silica Nanoparticles With Aggregation-Induced Emission for Tumor Cell Targeting and Long-Term Tumor Cell Tracking THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2014-09-11 US disclosed
US-20140255696-A1 Biotin-Decorated Fluorescent Silica Nanoparticles With Aggregation-Induced Emission for Tumor Cell Targeting and Long-Term Tumor Cell Tracking THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2014-09-11 US disclosed
US-20140255696-A1 Biotin-Decorated Fluorescent Silica Nanoparticles With Aggregation-Induced Emission for Tumor Cell Targeting and Long-Term Tumor Cell Tracking THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2014-09-11 US disclosed
US-8679738-B2 Water-soluble AIE luminogen for monitoring and retardation of amyloid fibrillation of insulin THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2014-03-25 US disclosed
US-20130210047-A1 SILICA NANOPARTICLES WITH AGGREGATION INDUCED EMISSION CHARACTERISTICS AS FLUORESCENT BIOPROBE FOR INTRACELLULAR IMAGING AND PROTEIN CARRIER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2013-08-15 US disclosed
US-20130210047-A1 SILICA NANOPARTICLES WITH AGGREGATION INDUCED EMISSION CHARACTERISTICS AS FLUORESCENT BIOPROBE FOR INTRACELLULAR IMAGING AND PROTEIN CARRIER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2013-08-15 US disclosed
US-20130210047-A1 SILICA NANOPARTICLES WITH AGGREGATION INDUCED EMISSION CHARACTERISTICS AS FLUORESCENT BIOPROBE FOR INTRACELLULAR IMAGING AND PROTEIN CARRIER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2013-08-15 US disclosed
US-20120172296-A1 WATER-SOLUBLE AIE LUMINOGEN FOR MONITORING AND RETARDATION OF AMYLOID FIBRILLATION OF INSULIN THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (HK) 2012-07-05 US disclosed
US-8129111-B2 Fluorescent water-soluable conjugated polyene compounds that exhibit aggregation induced emission and methods of making and using same THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2012-03-06 US disclosed
US-7939613-B2 Probes/sensors for biomacromolecules; films; cosmetics THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2011-05-10 US disclosed
US-20100009362-A1 Fluorescent water-soluable conjugated polyene compounds that exhibit aggregation induced emission and methods of making and using same THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2010-01-14 US disclosed
US-20080220407-A1 Fluorescent water-soluble conjugated polyene compounds that exhibit aggregation induced emission and methods of making and using same THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2008-09-11 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-20120172296-A1 WATER-SOLUBLE AIE LUMINOGEN FOR MONITORING AND RETARDATION OF AMYLOID FIBRILLATION OF INSULIN IAPP, IGF2BP1, IGF2BP2 ESR1 1506/4885CYP19A1 869/4885ESR2 2995/4885
US-20080220407-A1 Fluorescent water-soluble conjugated polyene compounds that exhibit aggregation induced emission and methods of making and using same FUS, CD63, EPCAM ESR1 3545/4885CYP19A1 3349/4885ESR2 3885/4885

“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.