SCHEMBL21594810

SCHEMBL21594810

CCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 1.00
▸ MAPK1 P28482 5/20 0.97
▸ MAPT P10636 5/20 0.97
▸ LMNA P02545 4/20 0.97
▸ GMNN O75496 3/20 0.97
▸ NPSR1 Q6W5P4 3/20 0.97
▸ MEN1 O00255 3/20 0.97
▸ KMT2A Q03164 3/20 0.97
▸ TP53 P04637 3/20 0.97
▸ TSHR P16473 3/20 0.97
▸ HSP90AA1 P07900 2/20 0.97
▸ BLM P54132 2/20 0.97
▸ NR1H4 Q96RI1 2/20 0.97
▸ CYP2C9 P11712 2/20 0.97
▸ HIF1A Q16665 2/20 0.97
▸ GLA P06280 1/20 0.94
▸ PMP22 Q01453 1/20 0.94
▸ SLC25A20 O43772 3/20 0.74
▸ CYP2D6 P10635 2/20 0.74
▸ SLC6A5 Q9Y345 2/20 0.74

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
SCHEMBL12648561 1.00 CYP1A2 (1.00) CYP1A2MAPK1MAPTLMNAGMNN
Palmitoyl-Carnitine SCHEMBL20608769 0.98 MAPK1 (1.00) CYP1A2MAPK1MAPTLMNAGMNN
SCHEMBL22392372 0.98 MAPK1 (1.00) CYP1A2MAPK1MAPTLMNAGMNN
SCHEMBL21569424 0.98 MAPK1 (1.00) CYP1A2MAPK1MAPTLMNAGMNN
SCHEMBL25373349 0.98 MAPK1 (1.00) CYP1A2MAPK1MAPTLMNAGMNN
SCHEMBL25375657 0.98 MAPK1 (1.00) CYP1A2MAPK1MAPTLMNAGMNN
SCHEMBL22206068 0.98 MAPK1 (1.00) CYP1A2MAPK1MAPTLMNAGMNN
SCHEMBL21114352 0.98 MAPK1 (1.00) CYP1A2MAPK1MAPTLMNAGMNN
SCHEMBL22392377 0.98 MAPK1 (1.00) CYP1A2MAPK1MAPTLMNAGMNN
SCHEMBL22440885 0.98 MAPK1 (1.00) CYP1A2MAPK1MAPTLMNAGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12507703-B2 Methods, devices and compositions for preserving human milk THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2025-12-30 — — US disclosed
US-20250169516-A1 METHODS, DEVICES AND COMPOSITIONS FOR PRESERVING HUMAN MILK THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2025-05-29 — — US disclosed
US-12239142-B2 Methods, devices and compositions for preserving human milk THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2025-03-04 — — US disclosed
US-20240268402-A1 Methods, Devices and Compositions for Preserving Human Milk THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2024-08-15 — — US disclosed
CN-115825414-A Blood or urine metabolic marker and application thereof in endometrial cancer early screening 中国医学科学院北京协和医院 2023-03-21 — — CN disclosed
CN-109752473-B Metabonomics analysis method taking amino acid and acylcarnitine as target in blood 北京和合医学诊断技术股份有限公司 2022-04-01 — — CN disclosed
CN-109709248-B Application of reagent and adsorption column in preparation of kit for detecting to-be-detected object in dried blood slice sample 中国人民解放军总医院 2020-10-27 — — CN disclosed
CN-106537145-B Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment 麦特博隆股份有限公司 2020-08-25 — — CN disclosed
CN-110785664-A Metabolites characteristic of abortion 新加坡保健服务集团有限公司 2020-02-11 — — CN disclosed
CN-105492883-B Two-phase electrowinning from mobile phases 莱顿大学 2019-12-31 — — CN disclosed
US-20190391092-A1 METABOLIC PROFILING WITH MAGNETIC RESONANCE MASS SPECTROMETRY (MRMS) Oregon Institute of Science and Medicine 2019-12-26 — — US disclosed
CN-108627647-A A kind of detection of posttranslational modification proteomics and quantitative approach 四川大学 2018-10-09 — — CN disclosed
CN-106537145-A Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment 麦特博隆股份有限公司 2017-03-22 — — CN disclosed
CN-105640931-A acetoacetic monoglyceride for treating neurotic disorder and derivative thereof 艾克塞拉公司 2016-06-08 — — CN disclosed
CN-102105071-A Monoacetin esters of acetoacetate and derivatives thereof for the treatment of neurological disorders NEUERA PHARMACEUTICALS INC 2011-06-22 — — CN 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-12507703-B2 Methods, devices and compositions for preserving human milk LPL, CEL, LPO CYP1A2 2244/4885MAPK1 4161/4885MAPT 1944/4885

“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.

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