SCHEMBL2221653

SCHEMBL2221653

C[N+](C)(C)CC(O)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.48
CES1 P23141 3/20 0.47
LMNA P02545 3/20 0.47
CES2 O00748 2/20 0.47
ALKBH5 Q6P6C2 1/20 0.44
PGR P06401 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
CHRM2 P08172 2/20 0.41

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
Iodide SCHEMBL2353850 0.98 MDM2 (0.47) MDM2CES1LMNACES2ALKBH5
Hydrochloric Acid SCHEMBL2356480 0.98 MDM2 (0.47) MDM2CES1LMNACES2ALKBH5
Bromide SCHEMBL2356766 0.98 MDM2 (0.47) MDM2CES1LMNACES2ALKBH5
Water SCHEMBL16320768 0.98 MDM2 (0.47) MDM2CES1LMNACES2ALKBH5
SCHEMBL5144207 0.83 LMNA (0.44) LMNAPGRADRA2AADRA2BHTR2A
Iodide SCHEMBL11214733 0.81 LMNA (0.42) LMNATDP1L3MBTL1MAPTNPC1
SCHEMBL11020500 0.81 CA12 (0.46) MAPTCHRM2CHRM1CHRM3CA12
Iodide SCHEMBL10522536 0.80 CES2 (0.49) CES1CES2TDP1MAPTMAPK1
SCHEMBL11122619 0.79 ALDH1A1 (0.49) CES1LMNACES2HTTKMT2A
SCHEMBL11230342 0.79 ALDH1A1 (0.51) TDP1MAPTMAPK1NPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119215983-A Quaternary ammonium salt ionic liquid catalyst for synthesizing diether fluorene and preparation method thereof 濮阳市盛通聚源新材料有限公司 2024-12-31 CN claimed
WO-2024196901-A2 A HIGH THROUGHPUT ION-SENSING METHOD WHITESIDES GEORGE M (US) 2024-09-26 WO claimed
EP-3123860-B1 ACELLULAR COLLAGENOUS TISSUE AND PROCESSING METHOD OF ARTIFICIAL VALVE COMPRISING ACELLULAR COLLAGENOUS TISSUE KINGSTRONBIO CHANGSHU CO LTD (CN) 2020-02-12 EP claimed
CN-104023526-B A kind ofly process the method for biomaterial and the biomaterial through the method process KINGSTRONBIO (CHANGSHU) Co.,Ltd. (CN) 2016-01-13 CN claimed
CN-104023526-A Biological material processing method, and biological material processed through the same JINSHI BIOTECHNOLOGY CHANGSHU CO LTD 2014-09-03 CN claimed
CN-101058745-B Removal and recovery of naphthenic acid in oil based on ion switch principle INST PROCESS ENG CAS 2011-09-07 CN claimed
CN-101260051-A Biodegradable choline-like ionic liquid INST PROCESS ENG CAS (CN) 2008-09-10 CN claimed
CN-101058745-A Removal and recovery of naphthenic acid in oil based on ion switch principle INST PROCESS ENG CAS (CN) 2007-10-24 CN claimed
CN-101050185-A Ion liquid of quaternaries of naphthenic acid INST OF PROCEDUE ENGINEERING C (CN) 2007-10-10 CN claimed
US-20050232864-A1 Method for phenotyping using nmr spectroscopy OXFORD INSTRUMENTS MOLECULAR BIOTOOLS LIMITED (GB) 2005-10-20 US claimed
US-20050233470-A1 Methods and compound mixtures for determining protein activity using nmr spectroscopy OXFORD INSTRUMENTS MOLECULAR BIOTOOLS LIMITED (GB) 2005-10-20 US claimed
EP-1501940-A1 METHOD FOR PHENOTYPING USING NMR SPECTROSCOPY Amersham Health AS (NO) 2005-02-02 EP claimed
EP-1497448-A1 METHODS AND COMPOUND MIXTURES FOR DETERMINING PROTEIN ACTIVITY USING NMR SPECTROSCOPY Amersham Health AS (NO) 2005-01-19 EP claimed
WO-2003089656-A1 METHODS AND COMPOUND MIXTURES FOR DETERMINING PROTEIN ACTIVITY USING NMR SPECTROSCOPY AMERSHAM HEALTH AS (NO) 2003-10-30 WO claimed
WO-2003089657-A1 METHOD FOR PHENOTYPING USING NMR SPECTROSCOPY AMERSHAM HEALTH AS (NO) 2003-10-30 WO claimed
EP-0657545-B1 Assay method for biological components DAIICHI PURE CHEMICALS CO LTD (JP) 2003-08-06 EP claimed
EP-0674232-B1 Recording sheets XEROX CORP (US) 2000-05-31 EP claimed
EP-0674233-B1 Recording sheets XEROX CORP (US) 2000-05-24 EP claimed
US-5559003-A BILIRUBIN INTERFERENCE DAIICHI PURE CHEMICALS CO., LTD. (JP) 1996-09-24 US claimed
US-4135980-A PREPARATION BY CULTURING MICROORGANISM OF GENUS ARTHROBACTER, USE IN DETERMINATION OF CHOLINE OR BETAINE ALDEHYDE TOYO JOZO KABUSHIKI KAISHA (JP) 1979-01-23 US claimed

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-20050232864-A1 Method for phenotyping using nmr spectroscopy TSPO, FABP3, HNRNPA3 MDM2 1734/4885CES1 159/4885LMNA 1468/4885

“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.