SCHEMBL5542219

SCHEMBL5542219

CCCC(=O)c1c[c]ccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B3 P37058 3/20 0.48
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
STS P08842 1/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR4A2 P43354 1/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL5547389 0.89 HSD17B3 (0.51) L3MBTL1HSD17B3CES2CES1STS
SCHEMBL5548382 0.88 HSD17B3 (0.53) L3MBTL1HSD17B3CES2CES1STS
SCHEMBL8106430 0.86 HSD17B3 (0.54) L3MBTL1HSD17B3CES2CES1STS
SCHEMBL687760 0.85 MAPT (0.46) HPGDL3MBTL1SMN1; SMN2CES2CES1
SCHEMBL28043023 0.83 TDP1 (0.39) HPGDL3MBTL1SMN1; SMN2CES1MAPT
SCHEMBL28622337 0.81 MAPT (0.39) HPGDL3MBTL1SMN1; SMN2MAPTLMNA
SCHEMBL28780268 0.79 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2MAPTLMNATDP1
SCHEMBL4926756 0.79 CES1 (0.37) HPGDL3MBTL1SMN1; SMN2CES2CES1
Butyrophenone SCHEMBL27921458 0.78 L3MBTL1 (0.74) HPGDL3MBTL1SMN1; SMN2HSD17B3CES2
SCHEMBL27558025 0.78 CES2 (0.35) HPGDL3MBTL1SMN1; SMN2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105906591-A Synthesis method of 2-amino-gamma-butyrolactone hydrochloride 中国药科大学 2016-08-31 CN claimed
CN-102653543-A Preparation method, biological activity and application of 3-substituted type Jolkinolide compound UNIV CHINA PHARMA 2012-09-05 CN claimed
CN-105906591-A Synthesis method of 2-amino-gamma-butyrolactone hydrochloride 中国药科大学 2016-08-31 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-102653543-A Preparation method, biological activity and application of 3-substituted type Jolkinolide compound UNIV CHINA PHARMA 2012-09-05 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-0420464-B1 3-Isoxazolone derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1994-07-13 EP disclosed
US-5321037-A Isoxazole derivatives for use as cerebro-active drugs and central muscle relaxants SANKYO COMPANY, LIMITED (JP) 1994-06-14 US disclosed
EP-0335723-B1 ISOXAZOLE DERIVATIVES FOR USE AS CEREBRO-ACTIVE DRUGS AND CENTRAL MUSCLE RELAXANTS Sankyo Company Limited (JP) 1991-12-04 EP disclosed
EP-0420464-A2 3-Isoxazolone derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 1991-04-03 EP disclosed
EP-0335723-A1 Isoxazole derivatives for use as cerebro-active drugs and central muscle relaxants Sankyo Company Limited (JP) 1989-10-04 EP disclosed
US-4619932-A CENTRAL NERVOUS SYSTEM CONTROLLERS; ANTI-SCHIZOPHRENIA AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-10-28 US disclosed
US-4567187-A CENTRAL NERVOUS SYSTEM OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-01-28 US disclosed
US-4460593-A Carbostyril derivatives, and central nervous system controlling agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-07-17 US disclosed
US-4455422-A ANTIHISTAMINES, CNS CONTROLLERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-19 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 HPGD 3159/4885L3MBTL1 1931/4885SMN1; SMN2 3985/4885

“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.