SCHEMBL533652

SCHEMBL533652

CCC(C)Oc1cc[c]cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.37
MAPT P10636 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
MCHR1 Q99705 1/20 0.33
LTA4H P09960 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 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
SCHEMBL9988719 1.00 ACACB (0.37) ACACBMAPTGPBAR1CYSLTR1MTNR1A
SCHEMBL2088447 0.92 ACACB (0.37) ACACBMAPTGPBAR1CYSLTR1MTNR1A
SCHEMBL122883 0.84 ACACB (0.45) ACACBMAPTGPBAR1CYSLTR1MTNR1A
SCHEMBL1004145 0.83 MCHR1 (0.36) MTNR1AMTNR1BMCHR1
SCHEMBL386596 0.80 ACACB (0.35) ACACBMCHR1
SCHEMBL28887160 0.79
SCHEMBL2094760 0.79 MCHR1 (0.39) MAPTGPBAR1CYSLTR1MTNR1AMTNR1B
SCHEMBL9442681 0.78 MTNR1A (0.31) MTNR1AMTNR1B
SCHEMBL2502270 0.78 MCHR1 (0.39) MTNR1AMTNR1BMCHR1HSD17B10
SCHEMBL28897940 0.77 ALDH1A1 (0.42) MAPTSLC2A1

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 296 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106232120-B Process for preparing N-benzyl-3-hydroxy-4-substituted-pyridin-2- (1H) -ones 爱尔皮奥治疗有限公司 2021-01-08 CN claimed
CN-106554325-B A kind of preparation method of chirality benzene sulfinyl aminated compounds 上海交通大学 2019-02-22 CN claimed
CN-106554325-A A kind of preparation method of chiral benzene sulfinyl aminated compounds 上海交通大学 2017-04-05 CN claimed
EP-3107542-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES Aerpio Therapeutics, Inc. (US) 2016-12-28 EP claimed
CN-106232120-A The method preparing N benzyl 3 hydroxyl 4 substituted pyridine 2 (1H) ketone 爱尔皮奥治疗有限公司 2016-12-14 CN claimed
US-9388135-B2 Process for preparing N-benzyl-3-hydroxy-4-substituted-pyridin-2-(1H)-ones AERPIO THERAPEUTICS, INC. (US) 2016-07-12 US claimed
WO-2015126860-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES AERPIO THERAPEUTICS, INC. (US) 2015-08-27 WO claimed
US-20150232425-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES AERPIO THERAPEUTICS, INC. 2015-08-20 US claimed
CN-104447495-A Preparation method of chiral beta-substituted-alpha, beta-unsaturated amino alcohol compound UNIV SHANGHAI JIAOTONG 2015-03-25 CN claimed
CN-117616032-A Rare earth complex 东曹株式会社 2024-02-27 CN disclosed
CN-110573013-B Plant disease control agent 明治制果药业株式会社 2021-10-29 CN disclosed
US-20210120817-A1 PLANT DISEASE CONTROL AGENT MEIJI SEIKA PHARMA CO., LTD. (JP) 2021-04-29 US disclosed
EP-3064997-B1 LAMINATE AND USE OF A KIT FOR MANUFACTURING OF A LAMINATE FUJIFILM CORP (JP) 2021-04-28 EP disclosed
CN-110518284-B Non-aqueous electrolyte, battery containing non-aqueous electrolyte and electric vehicle 比亚迪股份有限公司 2021-04-20 CN disclosed
US-4599362-A 2-aryl-ethyl ether derivatives and insecticidal and acaricidal agents containing said derivatives MITSUITOATSU CHEMICALS, INC. (JP) 1986-07-08 US disclosed
US-4570005-A REACTING THE ARYL PROPYL CHLORIDE WITH THE CORRESPONDING ARYL ALCOHOL OR ARYL MERCAPTAN MITSUITOATSU CHEMICALS INC. (JP) 1986-02-11 US disclosed
US-4397864-A LOW TOXICITY MITSUITOATSU CHEMICALS INC. (JP) 1983-08-09 US disclosed
US-4120886-A APHIDICIDES PPG INDUSTRIES, INC. (US) 1978-10-17 US disclosed
US-4075006-A PESTICIDES, NEMATOCIDES, FUNGICIDES PPG INDUSTRIES, INC. (US) 1978-02-21 US disclosed
US-4055656-A S-ARYL-N-CYCLOALKYLTHIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 US 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 (2 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-20150232425-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES CYP4B1, CYP8B1, HPD ACACB 3211/4885MAPT 3400/4885GPBAR1 4016/4885
US-20210120817-A1 PLANT DISEASE CONTROL AGENT BROX, ALG1, CTRL ACACB 896/4885MAPT 1126/4885GPBAR1 2399/4885

“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.