SCHEMBL532917

SCHEMBL532917

CCCCCOc1c[c]ccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.53
TSHR P16473 2/20 0.49
NR5A1 Q13285 1/20 0.46
KCNA3 P22001 1/20 0.43
MLNR O43193 1/20 0.42
NR1I2 O75469 1/20 0.42
ESR1 P03372 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
ADRB2 P07550 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42

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
SCHEMBL1664309 0.98 LTA4H (0.51) LTA4HTSHRNR5A1KCNA3MLNR
SCHEMBL6050554 0.98 LTA4H (0.51) LTA4HTSHRNR5A1KCNA3MLNR
SCHEMBL9796880 0.98 LTA4H (0.51) LTA4HTSHRNR5A1KCNA3MLNR
SCHEMBL1664741 0.98 LTA4H (0.51) LTA4HTSHRNR5A1KCNA3MLNR
SCHEMBL677306 0.98 LTA4H (0.51) LTA4HTSHRNR5A1KCNA3MLNR
SCHEMBL5014110 0.98 LTA4H (0.51) LTA4HTSHRNR5A1KCNA3MLNR
SCHEMBL8420511 0.98 LTA4H (0.51) LTA4HTSHRNR5A1KCNA3MLNR
SCHEMBL533346 0.98 LTA4H (0.51) LTA4HTSHRNR5A1KCNA3MLNR
SCHEMBL6536652 0.98 LTA4H (0.51) LTA4HTSHRNR5A1KCNA3MLNR
SCHEMBL920303 0.98 LTA4H (0.51) LTA4HTSHRNR5A1KCNA3MLNR

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 161 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
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
US-20100168167-A1 Piperidinones Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-07-01 US claimed
CN-101679255-A The piperidines ketone that is used for inflammation treatment BIOLIPOX AB 2010-03-24 CN claimed
EP-2134686-A1 PIPERIDINONES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2009-12-23 EP claimed
WO-2008110793-A1 PIPERIDINONES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-09-18 WO claimed
CN-101048384-A Pyrimidine and quinoline potentiators of metabotropic glutamate receptors MERCK & CO INC (US) 2007-10-03 CN claimed
EP-1104677-A2 Proteinconjugates and their preparation Aventis Research & Technologies GmbH & Co. KG (DE) 2001-06-06 EP claimed
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 disclosed
CN-111100045-A Synthetic method of alkenyl sulfone compound 中国科学技术大学 2020-05-05 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
US-9955689-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-01 US disclosed
CN-1030415-A Saturated heterocycle carboxamide derivatives and its preparation method YAMANOUCHI PHARMA CO LTD (JP) 1989-01-18 CN disclosed
CN-1030237-A BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1989-01-11 CN disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 EP disclosed
US-4173630-A N2 Arylsulfonyl-L-argininamides and the pharmaceutically acceptable salts thereof MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1979-11-06 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-20100168167-A1 Piperidinones Useful in the Treatment of Inflammation ARG1, ARG2, PRMT1 LTA4H 1171/4885TSHR 1312/4885NR5A1 2003/4885
US-20150232425-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES CYP4B1, CYP8B1, HPD LTA4H 1336/4885TSHR 3422/4885NR5A1 3792/4885

“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.