SCHEMBL80681

SCHEMBL80681

Cc1ccc(/C(=C(\c2ccccc2)c2ccc(CN)cc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
LOXL2 Q9Y4K0 3/20 0.48
TAAR1 Q96RJ0 2/20 0.47
SNCA P37840 2/20 0.46
F10 P00742 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2D6 P10635 2/20 0.42
HIF1A Q16665 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
ESR1 P03372 1/20 0.41

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
SCHEMBL22361625 0.90 LOXL2 (0.59) LOXL2TAAR1SNCAF10CYP1A2
SCHEMBL69668 0.90 LOXL2 (0.59) LOXL2TAAR1SNCAF10CYP1A2
SCHEMBL69667 0.90 LOXL2 (0.59) LOXL2TAAR1SNCAF10CYP1A2
SCHEMBL21241003 0.85 ALDH1A1 (0.48) LOXL2TAAR1SNCAF10ESR1
SCHEMBL15301748 0.83 CES2 (0.65) LMNAPOLBNPC1RAB9AMEN1
SCHEMBL69744 0.83 CES2 (0.65) LMNAPOLBNPC1RAB9AMEN1
SCHEMBL69743 0.83 CES2 (0.65) LMNAPOLBNPC1RAB9AMEN1
P-Xylene SCHEMBL27449807 0.81 LOXL2 (0.74) LMNAPOLBLOXL2TAAR1CYP1A2
SCHEMBL11699 0.78
SCHEMBL12275074 0.78 ACHE (0.56) LMNAPOLBNPC1RAB9AMEN1

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 6 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-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 LMNA 228/4885POLB 3706/4885NPC1 4797/4885

“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.