SCHEMBL80629

SCHEMBL80629

CCCCOc1ccc(/C(=C(\c2ccccc2)c2ccc(OCCCS(=O)(=O)O)cc2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
PLA2G4B P0C869 2/20 0.52
RARB P10826 3/20 0.50
ESR1 P03372 8/20 0.49
LTA4H P09960 2/20 0.49

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
SCHEMBL15101908 1.00 PTGS2 (0.54) PTGS2TP53TSHRPLA2G4BRARB
SCHEMBL12659237 0.94 PKM (0.53) PTGS2TP53TSHRESR1LTA4H
SCHEMBL22115686 0.94 PKM (0.53) PTGS2TP53TSHRESR1LTA4H
SCHEMBL16414684 0.93 PKM (0.51) PTGS2TP53TSHRESR1LTA4H
SCHEMBL80670 0.90 ESRRG (0.48) PTGS2ESR1LTA4H
SCHEMBL28030079 0.88 ALDH1A1 (0.55) TP53TSHRPLA2G4BESR1LTA4H
SCHEMBL15101927 0.86 LTA4H (0.63) TP53TSHRPLA2G4BESR1LTA4H
SCHEMBL15306837 0.86 ESR1 (0.46) PTGS2TP53ESR1LTA4H
SCHEMBL6011812 0.85 LTA4H (0.60) TP53TSHRPLA2G4BLTA4H
SCHEMBL6267331 0.84 GAA (0.64) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9618453-B2 Aggregation induced emission of fluorescent bioprobes and methods of using the same THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2017-04-11 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-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 PTGS2 2348/4885TP53 36/4885TSHR 867/4885

“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.