SCHEMBL18998296

SCHEMBL18998296

CCCCCCCCOC(=O)c1ccc(O)c(OC)c1

nearest known ligand 0.89

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.89
KDM4E B2RXH2 1/20 0.79
POLB P06746 1/20 0.79
HSD17B2 P37059 1/20 0.69
ESR1 P03372 3/20 0.61
NPC1 O15118 1/20 0.61
MAPT P10636 1/20 0.61
RAB9A P51151 1/20 0.61
AKR1C4 P17516 1/20 0.61
AKR1C3 P42330 1/20 0.61
AKR1C2 P52895 1/20 0.61
AKR1C1 Q04828 1/20 0.61
ALDH1A1 P00352 1/20 0.61
CNR1 P21554 1/20 0.59
CNR2 P34972 1/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
SMPD1 P17405 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL11241662 1.00 HDAC6 (0.89) HDAC6KDM4EPOLBHSD17B2ESR1
SCHEMBL31550986 1.00 HDAC6 (0.89) HDAC6KDM4EPOLBHSD17B2ESR1
SCHEMBL1025800 1.00 HDAC6 (0.89) HDAC6KDM4EPOLBHSD17B2ESR1
SCHEMBL11222190 1.00 HDAC6 (0.89) HDAC6KDM4EPOLBHSD17B2ESR1
SCHEMBL20237258 1.00 HDAC6 (0.89) HDAC6KDM4EPOLBHSD17B2ESR1
SCHEMBL25222933 1.00 HDAC6 (0.89) HDAC6KDM4EPOLBHSD17B2ESR1
SCHEMBL8887483 0.99 HDAC6 (0.86) HDAC6KDM4EPOLBHSD17B2ESR1
SCHEMBL8889247 0.94 KDM4E (0.83) HDAC6KDM4EPOLBHSD17B2ESR1
SCHEMBL1354864 0.94 HDAC6 (1.00) HDAC6KDM4EPOLBHSD17B2ESR1
SCHEMBL3366969 0.94 HDAC6 (1.00) HDAC6KDM4EPOLBHSD17B2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004738-A Octyl vanillate and preparation method and application thereof 广东电网有限责任公司电力科学研究院 2025-05-16 CN claimed
CN-120004738-B Octyl vanillate and preparation method and application thereof 广东电网有限责任公司电力科学研究院 2025-12-05 CN disclosed
CN-120004738-B Octyl vanillate and preparation method and application thereof 广东电网有限责任公司电力科学研究院 2025-12-05 CN disclosed
CN-120114433-A Application of natural benzoic acid compound in preparation of medicine for treating gastrointestinal diseases 中国海洋大学 2025-06-10 CN disclosed
CN-120004738-A Octyl vanillate and preparation method and application thereof 广东电网有限责任公司电力科学研究院 2025-05-16 CN disclosed
CN-120004738-A Octyl vanillate and preparation method and application thereof 广东电网有限责任公司电力科学研究院 2025-05-16 CN disclosed
CN-120004738-A Octyl vanillate and preparation method and application thereof 广东电网有限责任公司电力科学研究院 2025-05-16 CN disclosed
CN-118221722-A Aromatic bio-based flame retardant plasticizer with different alkyl chain lengths, and preparation method and application thereof 安徽大学 2024-06-21 CN disclosed
US-9882137-B2 Organic semiconductor composition, organic thin film transistor, electronic paper, and display device FUJIFILM CORPORATION (JP) 2018-01-30 US disclosed
US-20170179387-A1 ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC THIN FILM TRANSISTOR, ELECTRONIC PAPER, AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2017-06-22 US disclosed