SCHEMBL80025

SCHEMBL80025

C(=C(C(=C/c1ccccc1)/c1ccccc1)\c1ccccc1)\c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 3/20 0.74
MAPT P10636 6/20 0.61
HPGD P15428 5/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
LMNA P02545 4/20 0.61
HTT P42858 3/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
POLB P06746 1/20 0.61
MAPK1 P28482 1/20 0.61
NPSR1 Q6W5P4 4/20 0.50
AKR1C3 P42330 2/20 0.50
AKR1C2 P52895 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
PLA2G1B P04054 1/20 0.50
CYP1A2 P05177 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50

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
SCHEMBL3296981 1.00 AKR1C1 (0.74) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL18721495 0.87 AKR1C1 (0.64) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL39275 0.85 AKR1C1 (1.00) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL290469 0.85 AKR1C1 (1.00) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL181529 0.85 AKR1C1 (1.00) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL23069110 0.84 AKR1C1 (0.73) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL11219395 0.84 AKR1C1 (0.73) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL9280210 0.84 AKR1C1 (0.61) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL11219398 0.84 AKR1C1 (0.73) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL10629579 0.84 AKR1C1 (0.61) AKR1C1MAPTHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4195990-A PARA-LINKED POLYPHENYLS OR POLYARYL UNSATURATED COMPOUNDS EASTMAN KODAK COMPANY (US) 1980-04-01 US claimed
US-4105447-A Photoconductive insulating compositions including polyaryl hydrocarbon photoconductors EASTMAN KODAK COMPANY (US) 1978-08-08 US claimed
US-4045220-A ELECTROGRAPHY EASTMAN KODAK COMPANY (US) 1977-08-30 US claimed
US-9618453-B2 Aggregation induced emission of fluorescent bioprobes and methods of using the same THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2017-04-11 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-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-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-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-20130079484-A1 ORGANIC-INORGANIC HYBRID POLYMER HAVING QUANTUM WELL STRUCTURES MOLECULAR ELECTRONICS CONSULTING (KR) 2013-03-28 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
WO-2007132986-A1 SILICON TYPE COMPOUND HAVING BISPHENYLCARBAZOL IN MOLECULE AND METHOD FOR PREPARING ORGANIC THIN LAYER OF ORGANIC LIGHT EMITTING DEVICES USING THE SAME DONGJIN SEMICHEM CO., LTD (KR) 2007-11-22 WO disclosed
US-20070243651-A1 Organic EL light emitting display device and method of manufacturing the same MIZUNO YUKITAMI 2007-10-18 US disclosed
US-20060240565-A1 Environment sensor and conjugated polyene for manufacturing environment sensors HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY, THE (HK) 2006-10-26 US disclosed
US-5652067-A Organic electroluminescent device TOPPAN PRINTING CO., LTD. (JP) 1997-07-29 US disclosed
US-4195990-A PARA-LINKED POLYPHENYLS OR POLYARYL UNSATURATED COMPOUNDS EASTMAN KODAK COMPANY (US) 1980-04-01 US disclosed
US-4105447-A Photoconductive insulating compositions including polyaryl hydrocarbon photoconductors EASTMAN KODAK COMPANY (US) 1978-08-08 US disclosed
US-4045220-A ELECTROGRAPHY EASTMAN KODAK COMPANY (US) 1977-08-30 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-20080220407-A1 Fluorescent water-soluble conjugated polyene compounds that exhibit aggregation induced emission and methods of making and using same FUS, CD63, EPCAM AKR1C1 3610/4885MAPT 580/4885HPGD 1192/4885

“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.