SCHEMBL80814

SCHEMBL80814

CC[N+](CC)(CC)CCOc1ccc(/C(=C(\c2ccccc2)c2ccc(OCC[N+](CC)(CC)CC)cc2)c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 14/20 0.72
CHRNB4 P30926 11/20 0.72
CHRNA3 P32297 11/20 0.72
CHRNB2 P17787 10/20 0.72
CHRNA4 P43681 10/20 0.72
MAPT P10636 1/20 0.63
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
TP53 P04637 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
HPGD P15428 1/20 0.63
ALOX15 P16050 1/20 0.63
KMT2A Q03164 1/20 0.63
HSD17B10 Q99714 1/20 0.63
CHRNA10 Q9GZZ6 3/20 0.63
CHRNA9 Q9UGM1 3/20 0.63
ESR1 P03372 5/20 0.62
APOBEC3A P31941 1/20 0.61

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
SCHEMBL17561668 0.95 CHRNA7 (0.66) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL80066 0.93 CHRNA7 (0.65) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
Bromide SCHEMBL69311 0.92 CHRNA7 (0.62) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL80826 0.91 CHRNA7 (0.63) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL81218 0.86 CHRNA7 (0.58) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL13385235 0.84 CHRNA7 (1.00) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL81293 0.83 CHRNA7 (0.57) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL11423649 0.83 CHRNA7 (0.96) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL17561643 0.82 CHRNA7 (0.61) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL15101927 0.81 LTA4H (0.63) MAPTMEN1TP53CYP1A2CYP2D6

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 8 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-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 4379/4885CHRNB4 4111/4885CHRNA3 3956/4885
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 4056/4885CHRNB4 3871/4885CHRNA3 3849/4885

“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.