SCHEMBL81268

SCHEMBL81268

CCN(CC)Cc1ccc([Si]2(c3ccc(CN(CC)CC)cc3)C(c3ccccc3)=C(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
CNR2 P34972 1/20 0.41
OPRD1 P41143 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ACHE P22303 2/20 0.36
MAOB P27338 1/20 0.36
PYCR1 P32322 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
BCHE P06276 1/20 0.35

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
SCHEMBL6252804 0.76 TP53 (0.45) KDM4ETAAR1
SCHEMBL79967 0.74 ALDH1A1 (0.38) MAPK1
SCHEMBL81248 0.72 HRH3 (0.65) HRH3CNR2KDM4ETSHRMAPK1
SCHEMBL6252586 0.72 HPGD (0.40) KDM4ETSHRL3MBTL1ACHEMAOB
SCHEMBL10018834 0.70 ALDH1A1 (0.41) TAAR1TSHRMAPK1
Fluoride SCHEMBL11307410 0.70 HRH3 (0.62) HRH3CNR2KDM4ETSHRMAPK1
Water SCHEMBL5507580 0.70 HRH3 (0.62) HRH3CNR2KDM4ETSHRMAPK1
Hydrochloric Acid SCHEMBL890978 0.70 HRH3 (0.62) HRH3CNR2KDM4ETSHRMAPK1
Iodide SCHEMBL21693881 0.70 HRH3 (0.62) HRH3CNR2KDM4ETSHRMAPK1
Bromide SCHEMBL11663269 0.70 HRH3 (0.62) HRH3CNR2KDM4ETSHRMAPK1

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 9 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-8263018-B2 Detecting aggregation-induced emission via fluorescence THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (HK) 2012-09-11 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 HRH3 4353/4885CNR2 4429/4885OPRD1 4205/4885
US-20080220407-A1 Fluorescent water-soluble conjugated polyene compounds that exhibit aggregation induced emission and methods of making and using same FUS, CD63, EPCAM HRH3 4206/4885CNR2 4282/4885OPRD1 3999/4885

“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.