SCHEMBL12137162

SCHEMBL12137162

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

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.91
▸ MAPK1 P28482 4/20 0.88
▸ MAPT P10636 4/20 0.88
▸ LMNA P02545 4/20 0.88
▸ MEN1 O00255 4/20 0.88
▸ KMT2A Q03164 4/20 0.88
▸ GMNN O75496 3/20 0.88
▸ NPSR1 Q6W5P4 3/20 0.88
▸ TP53 P04637 3/20 0.88
▸ TSHR P16473 3/20 0.88
▸ HSP90AA1 P07900 2/20 0.88
▸ BLM P54132 2/20 0.88
▸ NR1H4 Q96RI1 2/20 0.88
▸ CYP2C9 P11712 2/20 0.88
▸ HIF1A Q16665 2/20 0.88
▸ GLA P06280 1/20 0.86
▸ PMP22 Q01453 1/20 0.86
▸ SLC25A20 O43772 3/20 0.67
▸ CYP2D6 P10635 2/20 0.67
▸ SLC6A5 Q9Y345 2/20 0.67

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
Hydrochloric Acid SCHEMBL8617150 0.98 MAPK1 (0.89) CYP1A2MAPK1MAPTLMNAMEN1
Hydrochloric Acid SCHEMBL28699980 0.98 CYP1A2 (0.88) CYP1A2MAPK1MAPTLMNAMEN1
Hydrochloric Acid SCHEMBL8617144 0.98 MAPK1 (0.89) CYP1A2MAPK1MAPTLMNAMEN1
Hydrochloric Acid SCHEMBL8617151 0.98 MAPK1 (0.89) CYP1A2MAPK1MAPTLMNAMEN1
SCHEMBL12648561 0.95 CYP1A2 (1.00) CYP1A2MAPK1MAPTLMNAMEN1
SCHEMBL21594810 0.95 CYP1A2 (1.00) CYP1A2MAPK1MAPTLMNAMEN1
SCHEMBL25375657 0.94 MAPK1 (1.00) CYP1A2MAPK1MAPTLMNAMEN1
SCHEMBL21569424 0.94 MAPK1 (1.00) CYP1A2MAPK1MAPTLMNAMEN1
SCHEMBL22392377 0.94 MAPK1 (1.00) CYP1A2MAPK1MAPTLMNAMEN1
SCHEMBL21114352 0.94 MAPK1 (1.00) CYP1A2MAPK1MAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116994762-B Construction method and application of M Index model for MMDS auxiliary diagnosis 中山大学附属第六医院 2023-12-22 — — CN claimed
US-11808774-B2 Metabolic biomarkers for memory loss GEORGETOWN UNIVERSITY (US) 2023-11-07 — — US claimed
CN-116994762-A Construction method and application of M Index model for MMDS auxiliary diagnosis 中山大学附属第六医院 2023-11-03 — — CN claimed
CN-101616665-B Composition useful for the treatment of type 2 diabetes SIGMA TAU IND FARMACEUTI IT 2013-03-27 — — CN claimed
US-20240358676-A1 COMPOSITIONS AND METHODS FOR PAIN RELIEF CROSS III WILLIAM H (US) 2024-10-31 — — US disclosed
US-12036206-B2 Compositions and methods for pain relief CROSS III WILLIAM H (US) 2024-07-16 — — US disclosed
CN-117174923-B Graphite felt for enhancing solid-liquid interface interaction and preparation method thereof 杭州德海艾科能源科技有限公司 2024-02-06 — — CN disclosed
CN-116994762-B Construction method and application of M Index model for MMDS auxiliary diagnosis 中山大学附属第六医院 2023-12-22 — — CN disclosed
CN-117174923-A Graphite felt for enhancing solid-liquid interface interaction and preparation method thereof 杭州德海艾科能源科技有限公司 2023-12-05 — — CN disclosed
US-11808774-B2 Metabolic biomarkers for memory loss GEORGETOWN UNIVERSITY (US) 2023-11-07 — — US disclosed
CN-116994762-A Construction method and application of M Index model for MMDS auxiliary diagnosis 中山大学附属第六医院 2023-11-03 — — CN disclosed
WO-2023145880-A1 GLUTAMINASE INHIBITOR 国立大学法人富山大学 2023-08-03 — — WO disclosed
US-20180050048-A1 CONJUGATE COMPOUNDS OF URSODEOXYCHOLIC, BERBERINE OR L-CARNITINE, AND COMPOSITIONS AND METHODS THEREOF SHENZHEN HIGHTIDE BIOPHARMACEUTICAL, LTD. (CN) 2018-02-22 — — US 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
US-20170037043-A1 BERBERINE SALTS, URSODEOXYCHOLIC SALTS AND COMBINATIONS, METHODS OF PREPARATION AND APPLICATION THEREOF SHENZHEN HIGHTIDE BIOPHARMACEUTICAL, LTD. (CN) 2017-02-09 — — US disclosed
US-8067468-B2 L-carnitine and alkanoyl L-carnitine phytates and process for preparing the same SCIAN LABORATORIES, LLC 2011-11-29 — — US disclosed
US-8067468-B2 L-carnitine and alkanoyl L-carnitine phytates and process for preparing the same SCIAN LABORATORIES, LLC 2011-11-29 — — US disclosed
US-20100317890-A1 L-carnitine and alkanoyl L-carnitine phytates and process for preparing the same SCIAN LABORATORIES, LLC (US) 2010-12-16 — — US disclosed
US-20100317890-A1 L-carnitine and alkanoyl L-carnitine phytates and process for preparing the same SCIAN LABORATORIES, LLC (US) 2010-12-16 — — US disclosed
WO-2010005465-A1 L-CARNITINE AND ALKANOYL L-CARNITINE PHYTATES AND PROCESS FOR PREPARING THE SAME SCIAN LABORATORIES, LLC (US) 2010-01-14 — — WO 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 (5 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-20170037043-A1 BERBERINE SALTS, URSODEOXYCHOLIC SALTS AND COMBINATIONS, METHODS OF PREPARATION AND APPLICATION THEREOF CYP27A1, NR1H4, CYP7A1 CYP1A2 281/4885MAPK1 1212/4885MAPT 1349/4885
US-12036206-B2 Compositions and methods for pain relief CBS, CTH, CPT1B CYP1A2 2570/4885MAPK1 3994/4885MAPT 563/4885
US-20240358676-A1 COMPOSITIONS AND METHODS FOR PAIN RELIEF CBS, CTH, CPT1B CYP1A2 2570/4885MAPK1 3994/4885MAPT 563/4885
US-20100317890-A1 L-carnitine and alkanoyl L-carnitine phytates and process for preparing the same CPT1A, CPT1B, SLC25A20 CYP1A2 2417/4885MAPK1 2354/4885MAPT 3049/4885
US-20180050048-A1 CONJUGATE COMPOUNDS OF URSODEOXYCHOLIC, BERBERINE OR L-CARNITINE, AND COMPOSITIONS AND METHODS THEREOF HMGCR, COASY, CPT1A CYP1A2 2013/4885MAPK1 2562/4885MAPT 3807/4885

“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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