SCHEMBL6546310

SCHEMBL6546310

CC(C)c1cccccc1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.48
GABRB2 P47870 2/20 0.48
FAAH O00519 2/20 0.47
MGLL Q99685 1/20 0.47
LMNA P02545 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
HTR2B P41595 1/20 0.44

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
Benzene SCHEMBL28101242 0.80 GABRA1 (0.60) GABRA1GABRB2FAAHMGLLLMNA
Benzene SCHEMBL3121322 0.80 GABRA1 (0.60) GABRA1GABRB2FAAHMGLLLMNA
Alpha-Thujaplicin SCHEMBL355646 0.78 GABRA1 (0.62) GABRA1GABRB2FAAHMGLLLMNA
SCHEMBL16812097 0.78 GABRA1 (0.43) GABRA1GABRB2FAAHMGLLLMNA
Hydrogen Peroxide SCHEMBL35519 0.77 GABRA1 (0.65) GABRA1GABRB2FAAHMGLLLMNA
Hydrogen Peroxide SCHEMBL29394264 0.77 GABRA1 (0.65) GABRA1GABRB2FAAHMGLLLMNA
Hydrogen Peroxide SCHEMBL20593356 0.77 GABRA1 (0.65) GABRA1GABRB2FAAHMGLLLMNA
Hydrogen Peroxide SCHEMBL99126 0.77 GABRA1 (0.65) GABRA1GABRB2FAAHMGLLLMNA
Hydrogen Peroxide SCHEMBL30120583 0.77 GABRA1 (0.65) GABRA1GABRB2FAAHMGLLLMNA
SCHEMBL66162 0.76 GABRA1 (0.63) GABRA1GABRB2FAAHMGLLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875359-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING METABOLIC SYNDROME DISORDERS Charles R Drew University of Medicine and Science (US) 2015-05-27 EP claimed
WO-2013149258-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING METABOLIC SYNDROME DISORDERS Charles Drew University of Medicine and Science (US) 2013-10-03 WO claimed
US-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF UNIV IOWA STATE RES FOUND INC (US) 2023-06-08 US disclosed
CN-113943286-B Preparation method of choline receptor antagonist 上海方予健康医药科技有限公司 2023-04-18 CN disclosed
CN-114705769-B Method for detecting related substances in isopropyl tropine 石家庄四药有限公司 2022-10-28 CN disclosed
CN-114705769-A Method for detecting related substances in isopropyl tropine 石家庄四药有限公司 2022-07-05 CN disclosed
CN-109134229-B Method for preparing cypress oleyl alcohol 中国农业科学院农业环境与可持续发展研究所 2020-09-04 CN disclosed
CN-109134229-A A method of preparing cypress oleyl alcohol 中国农业科学院农业环境与可持续发展研究所 2019-01-04 CN disclosed
CN-108586215-A A kind of preparation method of high-purity chamenol and its complex 山东师范大学 2018-09-28 CN disclosed
CN-108314615-A A kind of preparation method of high-purity Hinokitiol 河南师范大学 2018-07-24 CN disclosed
CN-107661505-A Hinokitiol inclusion compound and preparation method thereof 上海键合医药科技有限公司 2018-02-06 CN disclosed
EP-1069104-B1 PROCESS FOR PRODUCING HINOKITIOL ASAHI CHEMICAL IND (JP) 2004-01-28 EP disclosed
US-6310255-B1 Process for producing hinokitiol ASAHI KASEI KABUSHIKI KAISHA (JP) 2001-10-30 US disclosed
EP-1069104-A1 PROCESS FOR PRODUCING HINOKITIOL Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2001-01-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF C5, CYP51A1, DDT GABRA1 3469/4885GABRB2 3231/4885FAAH 103/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.