SCHEMBL3045553

SCHEMBL3045553

C=CCc1cc(O)c(CC=C)c(CC=C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.47
GABRB2 P47870 4/20 0.47
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.41
GLA P06280 1/20 0.41
POLB P06746 2/20 0.41
AKR1B1 P15121 2/20 0.40
XDH P47989 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALDH2 P05091 1/20 0.38
HPGD P15428 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX5 P09917 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
SCHEMBL1245217 0.85 GABRA1 (0.48) GABRA1GABRB2KDM4EGAAGLA
SCHEMBL27666704 0.85 GABRA1 (0.47) GABRA1GABRB2KDM4EGAAGLA
SCHEMBL27689112 0.83 GABRA1 (0.47) GABRA1GABRB2KDM4EGAAGLA
SCHEMBL27592056 0.83 GABRA1 (0.47) GABRA1GABRB2KDM4EGAAGLA
SCHEMBL15815265 0.81 GAA (0.45) GABRA1GABRB2KDM4EGAAGLA
SCHEMBL2457764 0.80 GABRA1 (0.44) GABRA1GABRB2KDM4EGAAPOLB
SCHEMBL10532667 0.80 KDM4E (0.43) GABRA1GABRB2KDM4EGAAGLA
SCHEMBL15389161 0.79 GABRA1 (0.47) GABRA1GABRB2KDM4EGAAGLA
SCHEMBL22139408 0.78 XDH (0.45) GABRA1GABRB2KDM4EGAAGLA
SCHEMBL6721314 0.78 XDH (0.38) GABRA1GABRB2KDM4EGAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024050725-A1 METHODS OF PRODUCING 2, 3, 5, 6-ALKYL-1, 4-BENZOQUINONES PTC THERAPEUTICS, INC. (US) 2024-03-14 WO claimed
WO-2024054871-A1 METHODS OF PRODUCING 2,3,5,6-ALKYL-1,4-BENZOQUINONES PTC THERAPEUTICS, INC. (US) 2024-03-14 WO claimed
EP-0538803-B1 Process for the preparation of substituted vinyl benzenes LONZA AG (CH) 1996-06-05 EP claimed
US-5364946-A Process for the preparation of substituted pentaalkylchromenes LONZA LTD. (CH) 1994-11-15 US claimed
EP-0543346-B1 Method for the preparation of substituted pentaalkylchromenes LONZA AG (CH) 1994-09-07 EP claimed
EP-0543345-B1 Substituted pentaalkylchromanes LONZA AG (CH) 1994-09-07 EP claimed
US-5310953-A Substituted pentaalkylchromans LONZA LTD. (CH) 1994-05-10 US claimed
US-5274176-A Producing a 4-acetyltrialkylphenol form a trialkyl hydroquinone LONZA LTD. (CH) 1993-12-28 US claimed
JP-58140033-A None JP disclosed
JP-6065229-A None JP disclosed
JP-5238975-A None JP disclosed
JP-55020745-A None JP disclosed
JP-6080658-A None JP disclosed
JP-58210038-A None JP disclosed
EP-0543346-A1 Method for the preparation of substituted pentaalkylchromenes LONZA AG (CH) 1993-05-26 EP disclosed
EP-0543345-A1 Substituted pentaalkylchromanes LONZA AG (CH) 1993-05-26 EP disclosed
EP-0538803-A1 Process for the preparation of substituted vinyl benzenes LONZA AG (CH) 1993-04-28 EP disclosed
JP-S58210038-A PRODUCTION OF TRIALKYLHYDROQUINONE MITSUI PETROCHEM IND LTD 1983-12-07 JP disclosed
JP-S58140033-A SEPARATION METHOD OF ALKYL GROUP-SUBSTITUTED HYDROQUINONE MITSUI PETROCHEM IND LTD 1983-08-19 JP disclosed
JP-S5520745-A PRODUCTION OF 4-HYDROXY-2,4,6-TRIALKYLCYCLOHEXA-2,5- DIENONE MITSUI PETROCHEM IND LTD 1980-02-14 JP disclosed