SCHEMBL233637

SCHEMBL233637

C[N+](C)(C)CCCC(=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 11/20 0.64
ACHE P22303 2/20 0.61
CA1 P00915 1/20 0.50
FFAR3 O14843 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MEN1 O00255 2/20 0.43
NFKB1 P19838 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
APEX1 P27695 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
PMP22 Q01453 1/20 0.43

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 SCHEMBL25181735 0.97 BBOX1 (0.61) BBOX1ACHECA1FFAR3HDAC3
SCHEMBL14352035 0.92 BBOX1 (0.56) BBOX1ACHECA1MEN1NFKB1
Valeric Acid SCHEMBL5573570 0.86 CA1 (0.67) BBOX1ACHECA1FFAR3HDAC3
Hexanoate SCHEMBL5571735 0.84 CA1 (0.58) BBOX1CA1NFKB1
Valeric Acid SCHEMBL5574325 0.84 CA1 (0.64) BBOX1CA1NFKB1
Hexanoate SCHEMBL5574422 0.84 CA1 (0.58) BBOX1CA1
SCHEMBL3497626 0.83
Glutarate SCHEMBL17982129 0.83 MEN1 (0.52) BBOX1ACHECA1MEN1KMT2A
Hexanoate SCHEMBL5574315 0.83 DNM1 (0.60) CA1
Stearic Acid SCHEMBL4942597 0.83 DNM1 (0.60) CA1

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 1544 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747627-A1 METHODS AND SYSTEMS FOR PREDICTIVE CLASSIFICATION BY MASS SPECTROMETRY AND TRAINED LARGE SPECTRAL MODELS Matterworks Inc (US) 2026-05-27 EP claimed
US-20250302964-A1 Topical Compositions and Methods for Treatment of Diabetic Neuropathies CROSS III WILLIAM H (US) 2025-10-02 US claimed
EP-4260070-B1 DIAGNOSIS OF AUTISM SPECTRUM DISORDER STALICLA S A (CH) 2025-09-24 EP claimed
US-12329818-B2 Topical compositions and methods for treatment of diabetic neuropathies CROSS III WILLIAM H (US) 2025-06-17 US claimed
WO-2025019764-A1 METHODS AND SYSTEMS FOR PREDICTIVE CLASSIFICATION BY MASS SPECTROMETRY AND TRAINED LARGE SPECTRAL MODELS MATTERWORKS INC (US) 2025-01-23 WO claimed
WO-2024243289-A2 GUT MICROBE DERIVED AROMATIC AMINO ACID METABOLITES FOR DETECTION AND TREATMENT OF DISEASE THE CLEVELAND CLINIC FOUNDATION (US) 2024-11-28 WO claimed
US-20240385183-A1 METABOLIC AND MICROBIAL BIOMARKERS FOR DETECTION OF PANCREATICOBILIARY CANCERS NORTHWESTERN UNIVERSITY 2024-11-21 US claimed
EP-4437319-A1 METHODS AND COMPOSITIONS FOR ANALYTE QUANTIFICATION Matterworks Inc (US) 2024-10-02 EP claimed
US-20240293300-A1 SKIN PENETRATION COSMETIC MATERIAL, AND SKIN PENETRATION COSMETIC MATERIAL PRODUCTION METHOD SHISEIDO COMPANY, LTD. (JP) 2024-09-05 US claimed
CN-118443857-A Lipid metabolism marker for distinguishing wild and cultivated four-big domestic fish and application thereof 中国水产科学研究院长江水产研究所 2024-08-06 CN claimed
WO-1994028780-A2 METHODS OF PREPARING GAS AND GASEOUS PRECURSOR-FILLED MICROSPHERES UNGER EVAN C (US) 1994-12-22 WO claimed
WO-1994028874-A1 NOVEL THERAPEUTIC DELIVERY SYSTEMS UNGER EVAN C (US) 1994-12-22 WO claimed
EP-0360222-B1 PROCESS FOR PREPARING GAMMA-BUTYROBETAINE LONZA AG (CH) 1993-03-10 EP claimed
US-5087745-A PROCESS FOR THE PRODUCTION OF GAMMA-BUTYROBETAINE LONZA LTD. (CH) 1992-02-11 US claimed
US-5030458-A Administering gamma-butyrobetaine SHUG AUSTIN L (US) 1991-07-09 US claimed
EP-0158194-B1 PROCESS FOR THE PRODUCTION OF L-CARNITINE IN A MICROBIOLOGICAL WAY LONZA AG (CH) 1991-06-05 EP claimed
EP-0244370-B1 PROCESS FOR PREPARING GAMMA BUTYROBETAINE Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1990-09-19 EP claimed
US-4806282-A CATALYTIC HYDROGENATION OF CROTONOYLBETAINE CHLORIDE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1989-02-21 US claimed
EP-0244370-A2 Process for preparing gamma butyrobetaine Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1987-11-04 EP claimed
US-4382092-A Pharmaceutical composition comprising gamma-butyrobetaine for the treatment of syndromes induced by L-carnitine deficiency SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1983-05-03 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-20240293300-A1 SKIN PENETRATION COSMETIC MATERIAL, AND SKIN PENETRATION COSMETIC MATERIAL PRODUCTION METHOD CUTA, SLC6A12, DSG1 BBOX1 40/4885ACHE 855/4885CA1 4323/4885

“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.