SCHEMBL67013

SCHEMBL67013

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
CYP19A1 P11511 1/20 0.49
ESR2 Q92731 1/20 0.49
PRSS1 P07477 6/20 0.47
TMPRSS2 O15393 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45
PRMT1 Q99873 3/20 0.44
F2 P00734 2/20 0.44
ST14 Q9Y5Y6 2/20 0.44
PKM P14618 1/20 0.44
PLAU P00749 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PRMT5 O14744 1/20 0.44
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
PTP4A3 O75365 1/20 0.44
SLC22A3 O75751 1/20 0.44

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
SCHEMBL69280 0.92 ESR1 (0.60) ESR1CYP19A1ESR2PSMB1PSMB5
SCHEMBL69279 0.92 ESR1 (0.60) ESR1CYP19A1ESR2PSMB1PSMB5
SCHEMBL18135627 0.90 NPC1 (0.50) ESR1CYP19A1ESR2L3MBTL1GAA
SCHEMBL16414415 0.87 PRMT1 (0.55) PRSS1TMPRSS2L3MBTL1PRMT1F2
SCHEMBL8140756 0.85 NPC1 (0.47) PRSS1TMPRSS2L3MBTL1GAAMAPT
SCHEMBL69068 0.83 GAA (0.59) L3MBTL1PSMB1PSMB5PKMGAA
SCHEMBL12659242 0.82 ESR1 (0.58) ESR1CYP19A1ESR2PSMB1PSMB5
SCHEMBL30879984 0.82 ESR1 (0.58) ESR1CYP19A1ESR2PSMB1PSMB5
SCHEMBL28024560 0.82 ESR1 (0.58) ESR1CYP19A1ESR2PSMB1PSMB5
SCHEMBL2592329 0.81 PKM (0.69) L3MBTL1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108822084-B Tetraphenyl ethylene bridged tetraphenylimidazole salt and preparation method and application thereof 天津师范大学 2020-11-10 CN claimed
CN-108822084-B Tetraphenyl ethylene bridged tetraphenylimidazole salt and preparation method and application thereof 天津师范大学 2020-11-10 CN 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-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-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-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-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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.