SCHEMBL29818683

SCHEMBL29818683

COc1ccc(C=O)c(C)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
PRKDC P78527 1/20 0.46
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ERN1 O75460 5/20 0.44
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
AOX1 Q06278 1/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTPRF P10586 1/20 0.39

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
SCHEMBL26908605 0.86 ERN1 (0.39) ALDH1A1PRKDCTSHRKDM4ETDP1
SCHEMBL8902570 0.85 ERN1 (0.48) ALDH1A1PRKDCTSHRKDM4ETDP1
SCHEMBL29953692 0.83 ALDH1A1 (0.52) ALDH1A1PRKDCTSHRKDM4ETDP1
SCHEMBL851964 0.83 ALDH1A1 (0.52) ALDH1A1PRKDCTSHRKDM4ETDP1
SCHEMBL26908560 0.83 ALDH1A1 (0.38) ALDH1A1PRKDCTSHRKDM4ETDP1
SCHEMBL9714789 0.82 ERN1 (0.46) ALDH1A1PRKDCTSHRKDM4ETDP1
SCHEMBL30608694 0.80 ERN1 (0.55) ALDH1A1PRKDCTSHRKDM4ETDP1
SCHEMBL10541475 0.80 ALDH1A1 (0.48) ALDH1A1PRKDCTSHRKDM4ETDP1
SCHEMBL16381993 0.78 ERN1 (0.43) ALDH1A1PRKDCTSHRKDM4ETDP1
SCHEMBL2436416 0.78 ALDH1A1 (0.47) ALDH1A1PRKDCTSHRKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166867-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-05-23 US disclosed
EP-4286448-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-06 EP disclosed
CN-116940559-A Cyclic diol compound, process for producing the compound, and use of the compound 新日本理化株式会社 2023-10-24 CN disclosed
CN-116829618-A Thermoplastic resin and optical lens comprising the same 三菱瓦斯化学株式会社 2023-09-29 CN disclosed
WO-2022163674-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME 三菱瓦斯化学株式会社 2022-08-04 WO disclosed
WO-2022163684-A1 CYCLIC DIOL COMPOUND, METHOD FOR PRODUCING SAID COMPOUND, AND USE OF SAID COMPOUND 新日本理化株式会社 2022-08-04 WO disclosed