SCHEMBL3045559

SCHEMBL3045559

C=CCOc1ccc(O)c(CC=C)c1CC=C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ ALOX5 P09917 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ AR P10275 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ TRPM8 Q7Z2W7 1/20 0.44
▸ GABRA1 P14867 6/20 0.40
▸ GABRB2 P47870 6/20 0.40
▸ TSHR P16473 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ HPGD P15428 4/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ XDH P47989 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH2 P05091 1/20 0.38
▸ MAPT P10636 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
SCHEMBL15814186 0.88 SRD5A1 (0.41) SRD5A1ALDH1A1ALOX5CYP3A4AR
SCHEMBL4192226 0.84 HPGD (0.45) SRD5A1ALDH1A1ALOX5CYP3A4AR
SCHEMBL323547 0.80 XDH (0.54) SRD5A1ALDH1A1ALOX5CYP3A4AR
SCHEMBL16863704 0.80 ALDH1A1 (0.57) SRD5A1ALDH1A1ALOX5CYP3A4AR
SCHEMBL15814907 0.79 CYP3A4 (0.41) ALDH1A1CYP3A4TSHRGAAHPGD
SCHEMBL7561778 0.79 CYP2C19 (0.41) ALDH1A1ALOX5CYP3A4ARPTGS1
Hydrogen Sulfide SCHEMBL6721312 0.78 XDH (0.52) SRD5A1ALDH1A1ALOX5CYP3A4AR
SCHEMBL27592055 0.77 HPGD (0.47) ALDH1A1CYP3A4TSHRGAAHPGD
SCHEMBL20226258 0.76 HPGD (0.44) SRD5A1ALDH1A1TSHRGAAHPGD
SCHEMBL11639066 0.75 KDM4E (0.37) ALDH1A1TSHRGAAHPGDMAPK1

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 43 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-0543345-B1 Substituted pentaalkylchromanes LONZA AG (CH) 1994-09-07 — — EP claimed
EP-0543346-B1 Method for the preparation of substituted pentaalkylchromenes 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-6080658-A — — None — — JP disclosed
WO-2024050725-A1 METHODS OF PRODUCING 2, 3, 5, 6-ALKYL-1, 4-BENZOQUINONES PTC THERAPEUTICS, INC. (US) 2024-03-14 — — WO disclosed
WO-2024054871-A1 METHODS OF PRODUCING 2,3,5,6-ALKYL-1,4-BENZOQUINONES PTC THERAPEUTICS, INC. (US) 2024-03-14 — — WO disclosed
US-5274176-A Producing a 4-acetyltrialkylphenol form a trialkyl hydroquinone LONZA LTD. (CH) 1993-12-28 — — US disclosed
JP-H05238975-A PRODUCTION OF SUBSTITUTED VINYLBENZENE LONZA AG 1993-09-17 — — 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-S58140033-A SEPARATION METHOD OF ALKYL GROUP-SUBSTITUTED HYDROQUINONE MITSUI PETROCHEM IND LTD 1983-08-19 — — JP disclosed
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