SCHEMBL68719

SCHEMBL68719

BrCc1ccc(C(=C(c2ccccc2)c2ccc(CBr)cc2)c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.69
CES1 P23141 2/20 0.69
TRPA1 O75762 1/20 0.59
ALDH1A1 P00352 1/20 0.59
TSHR P16473 1/20 0.59
SNCA P37840 2/20 0.53
PTPN1 P18031 2/20 0.43
GSK3B P49841 2/20 0.43
ESR1 P03372 5/20 0.39
CYP19A1 P11511 2/20 0.39
ESR2 Q92731 2/20 0.39
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ATM Q13315 1/20 0.37
NR4A2 P43354 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
SCHEMBL14756543 1.00 CES2 (0.69) CES2CES1TRPA1ALDH1A1TSHR
SCHEMBL68718 1.00 CES2 (0.69) CES2CES1TRPA1ALDH1A1TSHR
SCHEMBL29178576 0.90 CES2 (0.54) CES2CES1TRPA1ALDH1A1TSHR
SCHEMBL21241545 0.90 CES2 (0.58) CES2CES1TRPA1ALDH1A1TSHR
SCHEMBL8999090 0.84 CES1 (0.67) CES2CES1TRPA1ALDH1A1TSHR
SCHEMBL118227 0.82 CES2 (0.77) CES2CES1TRPA1ALDH1A1TSHR
SCHEMBL1352549 0.82 CES2 (1.00) CES2CES1TRPA1ALDH1A1TSHR
SCHEMBL8983371 0.82 CES2 (0.64) CES2CES1TRPA1ALDH1A1TSHR
SCHEMBL8999238 0.81 CES2 (0.53) CES2CES1TRPA1ALDH1A1TSHR
SCHEMBL8999230 0.81 CES2 (0.53) CES2CES1TRPA1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668718-B1 TAMPER-EVIDENT ADHESIVES, SEALS, AND CONTAINERS SUN CHEMICAL CORP (US) 2025-01-01 EP claimed
EP-3668718-A1 TAMPER-EVIDENT MATERIALS, ADHESIVES, SEALS, AND CONTAINERS Sun Chemical Corporation (US) 2020-06-24 EP claimed
US-20200165038-A1 TAMPER-EVIDENT MATERIALS, ADHESIVES, SEALS, AND CONTAINERS SUN CHEMICAL CORPORATION (US) 2020-05-28 US claimed
EP-3668718-B1 TAMPER-EVIDENT ADHESIVES, SEALS, AND CONTAINERS SUN CHEMICAL CORP (US) 2025-01-01 EP disclosed
EP-3668718-A1 TAMPER-EVIDENT MATERIALS, ADHESIVES, SEALS, AND CONTAINERS Sun Chemical Corporation (US) 2020-06-24 EP disclosed
US-20200165038-A1 TAMPER-EVIDENT MATERIALS, ADHESIVES, SEALS, AND CONTAINERS SUN CHEMICAL CORPORATION (US) 2020-05-28 US disclosed
US-9315465-B2 Photostable AIE luminogens for specific mitochondrial imaging and its method of manufacturing thereof THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-04-19 US disclosed
US-9315465-B2 Photostable AIE luminogens for specific mitochondrial imaging and its method of manufacturing thereof THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-04-19 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-9051598-B2 Specific detection of D-glucose by a tetraphenylethene-base fluorescent sensor THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-06-09 US disclosed
US-9051598-B2 Specific detection of D-glucose by a tetraphenylethene-base fluorescent sensor THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-06-09 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-20130177991-A1 AGGREGATION INDUCED EMISSION LUMINOGEN-BASED URINARY PROTEIN DETECTION DEVICE FOR MONITORING HUMAN HEALTH NANO AND ADVANCED MATERIALS INSTITUTE LIMITED (HK) 2013-07-11 US disclosed
US-20120282703-A1 SPECIFIC DETECTION OF D-GLUCOSE BY A TETRAPHENYLETHENE-BASE FLUORESCENT SENSOR THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2012-11-08 US disclosed
US-20120282703-A1 SPECIFIC DETECTION OF D-GLUCOSE BY A TETRAPHENYLETHENE-BASE FLUORESCENT SENSOR THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2012-11-08 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 CES2 3923/4885CES1 3130/4885TRPA1 1326/4885
US-20080220407-A1 Fluorescent water-soluble conjugated polyene compounds that exhibit aggregation induced emission and methods of making and using same FUS, CD63, EPCAM CES2 1125/4885CES1 2979/4885TRPA1 1214/4885

“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.