Choline

Choline

SCHEMBL506429

C[N+](C)(C)CCO.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Choline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
LMNA P02545 3/20 0.46
CYP2D6 P10635 2/20 0.46
MAPK1 P28482 1/20 0.46
THPO P40225 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC5A7 Q9GZV3 1/20 0.43
ALDH1A1 P00352 5/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 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
Choline SCHEMBL28623707 0.98 CYP3A4 (0.46) CYP3A4LMNACYP2D6MAPK1THPO
Choline SCHEMBL28992902 0.96 CYP3A4 (0.45) CYP3A4LMNACYP2D6MAPK1THPO
SCHEMBL2921887 0.91 CYP3A4 (0.48) CYP3A4LMNACYP2D6MAPK1THPO
SCHEMBL10599444 0.89 CYP3A4 (0.43) CYP3A4LMNACYP2D6MAPK1THPO
SCHEMBL11789370 0.89 LMNA (0.46) CYP3A4LMNACYP2D6MAPK1THPO
SCHEMBL10503573 0.88 LMNA (0.43) CYP3A4LMNACYP2D6MAPK1THPO
SCHEMBL10598903 0.86 KCNH2 (0.45) CYP3A4LMNACYP2D6MAPK1THPO
SCHEMBL10598262 0.86 KCNH2 (0.45) CYP3A4LMNACYP2D6MAPK1THPO
Choline SCHEMBL2150380 0.85 ALDH1A1 (0.45) CYP3A4LMNACYP2D6MAPK1SMN1; SMN2
Choline SCHEMBL9118969 0.85 LMNA (0.43) CYP3A4LMNACYP2D6MAPK1THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120022522-A Drug-loaded microneedle, drug-loaded microneedle patch and electrically-controlled drug release microneedle system 成都邦迈医创科技有限公司 2025-05-23 CN claimed
CN-115636848-B Method for synthesizing phosphorylcholine compound by one-pot method 深圳翰宇药业股份有限公司 2024-11-29 CN claimed
US-11978622-B2 Aqueous and semi-aqueous cleaners for the removal of post-etch residues with tungsten and cobalt compatibility ENTEGRIS, INC. (US) 2024-05-07 US claimed
CN-117866890-A Preparation method for extracting and purifying adipose-derived mesenchymal stem cell exosomes 山东翰康医学科技集团有限公司 2024-04-12 CN claimed
US-20230365602-A1 COMPOUND FOR USE IN THE TREATMENT OF PROTOZOAL DISEASES AND PROCESS FOR PRODUCTION OF SAID COMPOUND QUADREL S.R.L. (IT) 2023-11-16 US claimed
EP-4216960-A1 COMPOUND FOR USE IN THE TREATMENT OF PROTOZOAL DISEASES AND PROCESS FOR PRODUCTION OF SAID COMPOUND Quadrel S.r.l. (IT) 2023-08-02 EP claimed
CN-115636848-A Method for synthesizing phosphorylcholine compounds by one-pot method 深圳翰宇药业股份有限公司 2023-01-24 CN claimed
EP-4118079-A1 PHARMACEUTICAL COMPOSITIONS OF LIPOIC ACID CHOLINE ESTER SALTS AND METHODS OF TREATMENT USING SAME Novartis AG (CH) 2023-01-18 EP claimed
CN-115279745-A Pharmaceutical compositions of lipoic acid choline ester salts and methods of treatment using the same 诺华股份有限公司 2022-11-01 CN claimed
US-20220332978-A1 Low Dishing Copper Chemical Mechanical Planarization VERSUM MATERIALS US, LLC (US) 2022-10-20 US claimed
EP-2088865-B1 GUGGULPHOSPHOLIPID METHODS AND COMPOSITIONS JINA PHARMACEUTICALS INC (US) 2015-10-21 EP claimed
WO-2015017659-A1 AQUEOUS FORMULATIONS FOR REMOVING METAL HARD MASK AND POST-ETCH RESIDUE WITH Cu/W COMPATIBILITY ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2015-02-05 WO claimed
US-20150027978-A1 COMPOSITIONS AND METHODS FOR SELECTIVELY ETCHING TITANIUM NITRIDE ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2015-01-29 US claimed
WO-2014138064-A1 COMPOSITIONS AND METHODS FOR SELECTIVELY ETCHING TITANIUM NITRIDE ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2014-09-12 WO claimed
US-7323601-B2 Enanitomers of unsaturated alkyllysophosphonocholines and use as anti-neoplastics RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2008-01-29 US claimed
EP-1387847-A4 ENANTIOMERS OF UNSATURATED ALKYLLYSOPHOSPHONOCHOLINES AND USE AS ANTI-NEOPLASTICS UNIV CITY (US) 2005-06-29 EP claimed
US-20050014971-A1 Enanitomers of unsaturated alkyllysophosphonocholines and use as anti-neoplastics UNIVERSITY OF MANITOBA, THE (CA) 2005-01-20 US claimed
EP-1387847-A2 ENANTIOMERS OF UNSATURATED ALKYLLYSOPHOSPHONOCHOLINES AND USE AS ANTI-NEOPLASTICS The Research Foundation Of the City university of New York (US) 2004-02-11 EP claimed
WO-2002067855-A2 ENANTIOMERS OF UNSATURATED ALKYLLYSOPHOSPHONOCHOLINES AND USE AS ANTI-NEOPLASTICS THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2002-09-06 WO claimed
WO-1995029923-A1 PROCESS FOR THE PREPARATION OF MONO- AND BIS(PHOSPHOCHOLINE) DERIVATIVES WHICH HAVE ANTIFUNGAL ACTIVITY SHAMAN PHARMACEUTICALS, INC. (US) 1995-11-09 WO 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 (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-20050014971-A1 Enanitomers of unsaturated alkyllysophosphonocholines and use as anti-neoplastics SGMS1, SGMS2, ENPP2 CYP3A4 2257/4885LMNA 282/4885CYP2D6 1252/4885
US-20230365602-A1 COMPOUND FOR USE IN THE TREATMENT OF PROTOZOAL DISEASES AND PROCESS FOR PRODUCTION OF SAID COMPOUND PIGO, PIGS, AGPS CYP3A4 1129/4885LMNA 3079/4885CYP2D6 1446/4885

“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.