SCHEMBL81293

SCHEMBL81293

CC[N+](CC)(CC)CCCCOc1ccc(C(=C(c2ccc(OCCCC[N+](CC)(CC)CC)cc2)c2ccc(OCCCC[N+](CC)(CC)CC)cc2)c2ccc(OCCCC[N+](CC)(CC)CC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 14/20 0.57
CHRNA10 Q9GZZ6 5/20 0.57
CHRNA9 Q9UGM1 5/20 0.57
CHRNB4 P30926 9/20 0.51
CHRNA3 P32297 9/20 0.51
CHRNB2 P17787 8/20 0.51
CHRNA4 P43681 8/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.47
ESR1 P03372 1/20 0.47
TP53 P04637 2/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL80826 0.94 CHRNA7 (0.63) CHRNA7CHRNA10CHRNA9CHRNB4CHRNA3
SCHEMBL17561642 0.90 CHRNA7 (0.52) CHRNA7CHRNA10CHRNA9CHRNB4CHRNA3
SCHEMBL80066 0.89 CHRNA7 (0.65) CHRNA7CHRNA10CHRNA9CHRNB4CHRNA3
SCHEMBL81218 0.89 CHRNA7 (0.58) CHRNA7CHRNA10CHRNA9CHRNB4CHRNA3
Bromide SCHEMBL69311 0.88 CHRNA7 (0.62) CHRNA7CHRNA10CHRNA9CHRNB4CHRNA3
SCHEMBL17561643 0.85 CHRNA7 (0.61) CHRNA7CHRNA10CHRNA9CHRNB4CHRNA3
SCHEMBL80814 0.83 CHRNA7 (0.72) CHRNA7CHRNA10CHRNA9CHRNB4CHRNA3
SCHEMBL17561668 0.80 CHRNA7 (0.66) CHRNA7CHRNA10CHRNA9CHRNB4CHRNA3
SCHEMBL16418454 0.76 ESR1 (0.66) CHRNA7CHRNA10CHRNA9CHRNB4CHRNA3
Bromide SCHEMBL16414995 0.74 ESR1 (0.64) CHRNA7CHRNA10CHRNA9CHRNB4CHRNA3

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-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-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 CHRNA7 4379/4885CHRNA10 3582/4885CHRNA9 4259/4885
US-20080220407-A1 Fluorescent water-soluble conjugated polyene compounds that exhibit aggregation induced emission and methods of making and using same FUS, CD63, EPCAM CHRNA7 4056/4885CHRNA10 3266/4885CHRNA9 3839/4885

“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.