SCHEMBL533463

SCHEMBL533463

CCC(C)Oc1c[c]ccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
MAPT P10636 1/20 0.36
ACACB O00763 5/20 0.34
MTNR1A P48039 7/20 0.33
MTNR1B P49286 7/20 0.33
MCHR1 Q99705 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LTA4H P09960 1/20 0.33
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL2090300 0.86 GPBAR1 (0.42) GPBAR1CYSLTR1ACACBMTNR1AMTNR1B
SCHEMBL5273491 0.86 MCHR1 (0.36) MTNR1AMTNR1BMCHR1LTA4H
SCHEMBL7337414 0.83 PLAU (0.33) ACACBMCHR1LTA4H
SCHEMBL27428113 0.82 LTA4H (0.48) MAPTACACBLTA4H
SCHEMBL128132 0.80 ALDH1A3 (0.41) GAAALDH1A1
SCHEMBL17133997 0.80
SCHEMBL3163544 0.77 BCHE (0.31)
SCHEMBL11176381 0.77
SCHEMBL122883 0.77 ACACB (0.45) GPBAR1CYSLTR1MAPTACACBMTNR1A
SCHEMBL3227609 0.77 LMNA (0.34) ACACB

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 84 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-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
CN-110573013-A Plant disease control agent 明治制果药业株式会社 2019-12-13 CN disclosed
EP-3107542-B1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES AERPIO THERAPEUTICS INC (US) 2019-05-01 EP disclosed
CN-106554325-B A kind of preparation method of chirality benzene sulfinyl aminated compounds 上海交通大学 2019-02-22 CN disclosed
EP-0248084-A4 MODULATION OF ANIMAL CELLULAR RESPONSES WITH COMPOSITIONS CONTAINING ISOXANTHOPTERIN-8-(1'-BETA-ALDOGLYCOSIDYL) DERIVATIVES. SCRIPPS CLINIC RES (US) 1988-03-30 EP disclosed
EP-0248084-A1 MODULATION OF ANIMAL CELLULAR RESPONSES WITH COMPOSITIONS CONTAINING ISOXANTHOPTERIN-8-(1'-BETA-ALDOGLYCOSIDYL) DERIVATIVES. SCRIPPS CLINIC RES (US) 1987-12-09 EP disclosed
WO-1987003617-A1 MODULATION OF ANIMAL CELLULAR RESPONSES WITH COMPOSITIONS CONTAINING ISOXANTHOPTERIN-8-(1'-BETA-ALDOGLYCOSIDYL) DERIVATIVES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1987-06-18 WO 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 GPBAR1 4016/4885CYSLTR1 3583/4885MAPT 3400/4885
US-20210120817-A1 PLANT DISEASE CONTROL AGENT BROX, ALG1, CTRL GPBAR1 2399/4885CYSLTR1 2666/4885MAPT 1126/4885

“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.