SCHEMBL4412836

SCHEMBL4412836

Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1[CH]c1c(C)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
HTR1D P28221 2/20 0.38
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
ALDH1A1 P00352 5/20 0.35
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HTR1B P28222 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CA2 P00918 2/20 0.33
TYR P14679 1/20 0.33
HSP90AA1 P07900 1/20 0.33
TSHR P16473 3/20 0.32
ALOX15 P16050 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ATP2A2 P16615 1/20 0.32
ATP2A3 Q93084 1/20 0.32
CYP3A4 P08684 2/20 0.31

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
SCHEMBL15064206 0.84 POLB (0.41) POLBHTR1DGABRA1GABRB2ALDH1A1
SCHEMBL30404217 0.79 POLB (0.38) POLBHTR1DGABRA1GABRB2ALDH1A1
SCHEMBL29002020 0.77 POLB (0.35) POLBHTR1DGABRA1GABRB2ALDH1A1
SCHEMBL31697683 0.74 GABRA1 (0.37) POLBHTR1DGABRA1GABRB2ALDH1A1
SCHEMBL10021816 0.74 GABRA1 (0.37) POLBHTR1DGABRA1GABRB2ALDH1A1
SCHEMBL28317276 0.74 HTR1D (0.36) POLBHTR1DGABRA1GABRB2ALDH1A1
SCHEMBL27489164 0.73 POLB (0.48) POLBHTR1DGABRA1GABRB2ALDH1A1
SCHEMBL11357994 0.72 POLB (0.46) POLBHTR1DGABRA1GABRB2ALDH1A1
SCHEMBL1535610 0.71 POLB (0.46) POLBHTR1DGABRA1GABRB2ALDH1A1
SCHEMBL9836667 0.71 POLB (0.46) POLBHTR1DGABRA1GABRB2ALDH1A1

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
EP-3168252-B1 POLYKETONE MOULDING MATERIALS WITH IMPROVED PROPERTIES, MOULDED PARTS PRODUCED THEREFROM AND METHOD FOR ITS MANUFACTURE EMS PATENT AG (CH) 2019-01-09 EP claimed
EP-3143086-B1 STABILISED RESIN COMPOSITION SABIC GLOBAL TECHNOLOGIES BV (NL) 2018-10-10 EP claimed
EP-3168253-B1 FLAME RETARDANT ALIPHATIC POLYKETONE MASSES, MOULDS OBTAINED FROM THESE AND METHOD FOR PREPARING THE SAME EMS PATENT AG (CH) 2018-04-11 EP claimed
EP-1379584-B1 FLAME RETARDANT COMPOSITIONS CIBA SC HOLDING AG (CH) 2005-08-24 EP claimed
EP-3083243-B1 PRE-EXFOLIATED LAYERED MATERIALS BYK USA INC (US) 2020-05-13 EP disclosed
EP-3197934-B1 CATALYST COMPOSITION FOR A POLYESTER MANUFACTURING PROCESS CLARIANT PLASTICS & COATINGS LTD (CH) 2019-11-06 EP disclosed
EP-2502638-B1 COMPOSITION FOR HARD TISSUE REPAIR MITSUI CHEMICALS INC (JP) 2018-02-21 EP disclosed
EP-2640777-B1 STABILIZER COMPOSITION FOR POLYMERS BASF SE (DE) 2015-01-07 EP disclosed
EP-2502638-A1 COMPOSITION FOR HARD TISSUE REPAIR Mitsui Chemicals, Inc. (JP) 2012-09-26 EP disclosed
EP-1513893-B1 FLAME RETARDANT POLYMER COMPOSITIONS CONTAINING HYDROXYLAMINE ESTERS CIBA HOLDING INC (CH) 2009-01-07 EP disclosed
EP-1507824-B1 STABILIZED ARTICLES CIBA SC HOLDING AG (CH) 2008-03-12 EP disclosed
EP-1263833-A1 ROMP WITH OLIGOMERIC UV-ABSORBERS Ciba SC Holding AG (CH) 2002-12-11 EP disclosed
WO-2001062821-A1 ROMP WITH OLIGOMERIC UV-ABSORBERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-08-30 WO disclosed