SCHEMBL20838546

SCHEMBL20838546

CCCCCC(CCC(C)C(=O)O)c1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
CNR1 P21554 4/20 0.31
CNR2 P34972 4/20 0.31
PPARA Q07869 4/20 0.30
PPARG P37231 3/20 0.30
PPARD Q03181 3/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ACE2 Q9BYF1 1/20 0.30
KMO O15229 1/20 0.30

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
SCHEMBL224452 0.89 MMP2 (0.36) CNR1CNR2PPARA
SCHEMBL27182357 0.87 NPC1 (0.31)
SCHEMBL20695819 0.86 CNR1 (0.34) CNR1CNR2ALDH1A1TDP1
SCHEMBL15008369 0.84 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29013689 0.84 HPGD (0.30)
SCHEMBL416326 0.81 NPC1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL224451 0.81 PPARG (0.35) CNR1CNR2PPARAPPARGPPARD
SCHEMBL208253 0.81 PRKCZ (0.32) ALDH1A1
SCHEMBL19468411 0.81 AKR1C3 (0.37) KDM4EALDH1A1TDP1
SCHEMBL135175 0.80 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384870-B2 Method for setting polymerization condition and method for manufacturing optical material MITSUI CHEMICALS, INC. (JP) 2025-08-12 US disclosed
US-12379367-B2 Method for setting polymerization condition and method for manufacturing optical material MITSUI CHEMICALS, INC. (JP) 2025-08-05 US disclosed
US-11414515-B2 Polymerizable composition for optical material and optical material and plastic lens obtainable from same composition MITSUI CHEMICALS, INC. (JP) 2022-08-16 US disclosed
US-11358354-B2 Process for producing plastic lens and apparatus for producing plastic lens MITSUI CHEMICALS, INC. (JP) 2022-06-14 US disclosed
US-20210372984-A1 METHOD FOR SETTING POLYMERIZATION CONDITION AND METHOD FOR MANUFACTURING OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2021-12-02 US disclosed
CN-113683877-A Polycarbonate resin composition 三菱工程塑料株式会社 2021-11-23 CN disclosed
US-20210079151-A1 METHOD FOR SETTING POLYMERIZATION CONDITION AND METHOD FOR MANUFACTURING OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2021-03-18 US disclosed
US-20190100614-A1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL AND OPTICAL MATERIAL AND PLASTIC LENS OBTAINABLE FROM SAME COMPOSITION MITSUI CHEMICALS, INC. (JP) 2019-04-04 US disclosed
US-20190091953-A1 PROCESS FOR PRODUCING PLASTIC LENS AND APPARATUS FOR PRODUCING PLASTIC LENS MITSUI CHEMICALS, INC. (JP) 2019-03-28 US disclosed