SCHEMBL4826829

SCHEMBL4826829

CC(C)CCCC(C)CCOc1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.50
FDPS P14324 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
ALOX5 P09917 1/20 0.44
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GGPS1 O95749 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL6852447 0.95 TDP1 (0.50) RARBFDPSTDP1ALOX5MAPK1
SCHEMBL7334158 0.89 RARB (0.56) RARBTDP1MAPTKMT2AMAPK1
SCHEMBL6857008 0.87 TDP1 (0.58) RARBFDPSTDP1ALOX5MAPT
SCHEMBL16340342 0.87 TDP1 (0.58) RARBFDPSTDP1ALOX5MAPT
SCHEMBL10655018 0.84 RARB (0.52) RARBFDPSTDP1ALOX5KDM4E
SCHEMBL17286565 0.84 TDP1 (0.53) RARBTDP1MAPTMAPK1DRD2
SCHEMBL7585689 0.82 GSTO1 (0.45) FDPSTDP1ALOX5MAPTKMT2A
SCHEMBL941201 0.82 TDP1 (0.66) TDP1MAPTKMT2AMAPK1DRD2
SCHEMBL9227885 0.81 KDM4E (0.47) RARBTDP1ALOX5MAPTKMT2A
SCHEMBL9227890 0.81 KDM4E (0.47) RARBTDP1ALOX5MAPTKMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462427-B2 Liquid crystal compounds with branched or cyclic end groups QINETIQ LIMITED (GB) 2008-12-09 US disclosed
US-20040206933-A1 Liquid crystal compounds with branched or cyclic end groups QINETIQ LIMITED (GB) 2004-10-21 US disclosed
WO-2003024903-A1 LIQUID CRYSTAL COMPOUNDS WITH BRANCHED OR CYCLIC END GROUPS QINETIQ LIMITED (GB) 2003-03-27 WO disclosed
US-6509507-B2 Reacting a 6-membered aromatic ring with 1,4- position ester or benzylic OH groups with a second aromatic in a palladium catalyzed cross-coupling; electroluminescence AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2003-01-21 US disclosed
US-6458909-B1 SOLID-STATE LIGHT SOURCES FOR A SERIES OF APPLICATIONS, PREDOMINANTLY IN THE FIELD OF DISPLAY ELEMENTS HOECHST AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed
US-20020087030-A1 Polymerizable biaryls, process for their preparation and their use MERCK PATENT GMBH (DE) 2002-07-04 US disclosed
EP-0944569-B1 POLYMERIZABLE BIARYLS, METHOD FOR THE PRODUCTION AND USE THEREOF CELANESE VENTURES GMBH (DE) 2002-04-10 EP disclosed
EP-0944663-B1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS CELANESE VENTURES GMBH (DE) 2002-03-27 EP disclosed
US-6323373-B1 USED TO OBTAIN POLYMERS WHICH ARE USED AS ELECTROLUMINESCENCE MATERIALS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2001-11-27 US disclosed
EP-0944663-A1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS Celanese Ventures GmbH (DE) 1999-09-29 EP disclosed
EP-0944569-A1 POLYMERIZABLE BIARYLS, METHOD FOR THE PRODUCTION AND USE THEREOF Aventis Research & Technologies GmbH & Co. KG (DE) 1999-09-29 EP disclosed
WO-1998027136-A1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-25 WO disclosed
WO-1998025874-A1 POLYMERIZABLE BIARYLS, METHOD FOR THE PRODUCTION AND USE THEREOF AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-18 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 (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-20020087030-A1 Polymerizable biaryls, process for their preparation and their use PAH, TYR, PAICS RARB 1893/4885FDPS 583/4885TDP1 3571/4885

“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.