SCHEMBL79978

SCHEMBL79978

Cc1ccc(/C(=C(\c2ccccc2)c2ccc(OCCCCBr)cc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.52
ESR1 P03372 7/20 0.51
CYP19A1 P11511 3/20 0.51
ESR2 Q92731 3/20 0.51
DRD3 P35462 5/20 0.50
DRD2 P14416 3/20 0.50
DRD4 P21917 3/20 0.50
KCNH2 Q12809 3/20 0.48
EBP Q15125 3/20 0.48
SIGMAR1 Q99720 3/20 0.48
CHRM2 P08172 3/20 0.48
ADRA2A P08913 3/20 0.48
ADORA3 P0DMS8 3/20 0.48
CHRM1 P11229 3/20 0.48
PTGS1 P23219 3/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
HTR6 P50406 3/20 0.48
SLC6A3 Q01959 3/20 0.48
KMT2A Q03164 3/20 0.48

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
SCHEMBL16418450 0.92 GAA (0.51) DRD3DRD2DRD4KCNH2CHRM2
SCHEMBL28024560 0.92 ESR1 (0.58) ESRRGESR1CYP19A1ESR2DRD3
SCHEMBL12659242 0.92 ESR1 (0.58) ESRRGESR1CYP19A1ESR2DRD3
SCHEMBL29522639 0.90 ESR1 (0.57) ESR1CYP19A1ESR2DRD3KCNH2
SCHEMBL30879984 0.89 ESR1 (0.58) ESRRGESR1CYP19A1ESR2DRD3
SCHEMBL18135627 0.85 NPC1 (0.50) ESRRGESR1CYP19A1ESR2DRD3
SCHEMBL7432568 0.85 DRD2 (0.57) DRD3DRD2DRD4KCNH2KMT2A
SCHEMBL69280 0.83 ESR1 (0.60) ESRRGESR1CYP19A1ESR2DRD3
SCHEMBL69279 0.83 ESR1 (0.60) ESRRGESR1CYP19A1ESR2DRD3
SCHEMBL2802924 0.83 DRD2 (0.55) DRD3DRD2DRD4KCNH2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 ESRRG 1476/4885ESR1 1506/4885CYP19A1 869/4885

“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.