SCHEMBL537542

SCHEMBL537542

O=Cc1ccc(C(F)(F)F)cc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
RXRA P19793 2/20 0.54
RXRB P28702 2/20 0.54
RXRG P48443 2/20 0.54
HTR2C P28335 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR2B P41595 1/20 0.53
PTPN1 P18031 5/20 0.50
MRGPRX4 Q96LA9 2/20 0.46
LRRK2 Q5S007 3/20 0.46
PTPN6 P29350 4/20 0.46
PTPN2 P17706 3/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
PSEN1 P49768 2/20 0.44

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
SCHEMBL5473154 0.89 HTR2C (0.53) POLBMAPTRXRARXRBRXRG
SCHEMBL8684021 0.86 MRGPRX4 (0.48) MAPTRXRARXRBRXRGMRGPRX4
SCHEMBL2394889 0.83 PTGER4 (0.62) RXRARXRBRXRGHTR2CSLC6A4
SCHEMBL2394885 0.83 PTGER4 (0.62) RXRARXRBRXRGHTR2CSLC6A4
SCHEMBL26094223 0.82 RXRA (0.46) POLBMAPTRXRARXRBRXRG
SCHEMBL31048239 0.82 RXRA (0.46) POLBMAPTRXRARXRBRXRG
SCHEMBL2392721 0.81 CCNB2 (0.53) MAPTPTPN1CCNB2CDK1CDK4
SCHEMBL21722870 0.80 APP (0.46) POLBMAPTRXRARXRBRXRG
SCHEMBL1333232 0.79 HTR2C (0.58) RXRARXRBRXRGHTR2CSLC6A4
SCHEMBL13956364 0.79 ERN1 (0.52) MAPTCCNB2CDK1CDK4CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150678-B2 Photoreactive polymer and alignment layer comprising the same LG CHEM, LTD. (KR) 2015-10-06 US disclosed
US-9151988-B2 Cyclic olefin compound, photoreactive polymer, and alignment layer comprising the same LG CHEM, LTD. (KR) 2015-10-06 US disclosed
US-20150210792-A1 PHOTO-ALIGNMENT POLYMER, ALIGNMENT LAYER AND LIQUID CRYSTAL RETARDATION FILM COMPRISING THE SAME LG CHEM, LTD. (KR) 2015-07-30 US disclosed
CN-102557971-B Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB 2015-06-17 CN disclosed
US-20150093520-A1 CYCLIC OLEFIN COMPOUND, PHOTOREACTIVE POLYMER, AND ALIGNMENT LAYER COMPRISING THE SAME LG CHEM, LTD. (KR) 2015-04-02 US disclosed
US-8946366-B2 Cyclic olefin compound, photoreactive polymer, and alignment layer comprising the same LG CHEM, LTD. (KR) 2015-02-03 US disclosed
EP-1765768-B1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2013-11-06 EP disclosed
EP-2623527-A2 LIGHT-SENSITIVE POLYMER AND ALIGNMENT LAYER INCLUDING SAME LG Chem, Ltd. (KR) 2013-08-07 EP disclosed
EP-2240467-B1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2013-03-20 EP disclosed
US-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG 2013-02-21 US disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 US disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 US disclosed
EP-2240467-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2010-10-20 EP disclosed
EP-2215054-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2010-08-11 EP disclosed
WO-2009089057-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INS. (US) 2009-07-16 WO disclosed
WO-2009064449-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2009-05-22 WO disclosed
US-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases ASTRAZENECA AB (SE) 2008-05-15 US disclosed
CN-101014564-A Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB (SE) 2007-08-08 CN disclosed
EP-1765768-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2006005909-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2006-01-19 WO 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 (3 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-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 POLB 4456/4885MAPT 3268/4885RXRA 1304/4885
US-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases HRH2, HRH1, HRH4 POLB 2888/4885MAPT 3453/4885RXRA 241/4885
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 POLB 4456/4885MAPT 3268/4885RXRA 1304/4885

“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.