SCHEMBL29540929

SCHEMBL29540929

C[N+](C)(C)CC(O)(CC(=O)[O-])C(=O)/C=C/C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.38
BBOX1 O75936 1/20 0.32
TSHR P16473 2/20 0.30
TP53 P04637 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
EGLN3 Q9H6Z9 1/20 0.30

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
Fumaric Acid SCHEMBL30455914 0.87 CA4 (0.38) CA4BBOX1TSHRTP53EGLN1
SCHEMBL31121005 0.85 CA4 (0.39) CA4BBOX1
SCHEMBL31596793 0.83 CA4 (0.35) CA4BBOX1
SCHEMBL29970296 0.83 CA4 (0.35) CA4BBOX1
SCHEMBL30758921 0.82 CA4 (0.37) CA4BBOX1
SCHEMBL29777402 0.79 CA4 (0.41) CA4BBOX1
SCHEMBL31151780 0.79 GLA (0.42) TSHR
SCHEMBL30402594 0.78 CA4 (0.39) CA4
SCHEMBL31621795 0.76 FABP3 (0.43)
SCHEMBL29396627 0.76 FABP3 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022081350-A2 METHODS FOR IDENTIFICATION, STRATIFICATION, AND TREATMENT OF CNS DISEASES DUKE UNIVERSITY (US) 2022-04-21 WO claimed
US-20260148848-A1 BIOMARKERS FOR DIAGNOSIS AND TREATMENT OF ENDOCRINE HYPERTENSION, AND METHODS OF IDENTIFICATION THEREOF INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2026-05-28 US disclosed
US-20250314660-A1 METABOLIC BIOMARKERS FOR ASSESSING FRIEDREICH'S ATAXIA IN A SUBJECT THE TRUSTEES OF INDIANA UNIVERSITY 2025-10-09 US disclosed
US-20240192216-A1 METABOLIC BIOMARKER SET FOR ASSESSING OVARIAN CANCER BIOCRATES LIFE SCIENCES AG (AT) 2024-06-13 US disclosed
EP-3775906-B1 METABOLITE-BASED BREAST CANCER DETECTION AND DIAGNOSIS BURWINKEL BARBARA (DE) 2023-08-30 EP disclosed
US-11506665-B2 Metabolic biomarker set for assessing ovarian cancer BIOCRATES LIFE SCIENCES AG (AT) 2022-11-22 US disclosed
US-11493516-B2 Biomarkers for assessing breast cancer METABOLOMYCS, INC (US) 2022-11-08 US disclosed
EP-2771696-B1 METHODS MAKING USE OF PANELS OF METABOLITES FOR THE DIAGNOSIS AND DIFFERENTIATION OF NEONATAL ENCEPHALOPATHY INFANDX AG (DE) 2022-09-14 EP disclosed
US-20220187315-A1 METHODS AND COMPOSITIONS FOR DIAGNOSING DEPRESSION DUKE UNIVERSITY 2022-06-16 US disclosed
US-11313866-B2 Method of diagnosing and treating asphyxia INFANDX AG (DE) 2022-04-26 US disclosed
WO-2022081350-A2 METHODS FOR IDENTIFICATION, STRATIFICATION, AND TREATMENT OF CNS DISEASES DUKE UNIVERSITY (US) 2022-04-21 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 (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-20260148848-A1 BIOMARKERS FOR DIAGNOSIS AND TREATMENT OF ENDOCRINE HYPERTENSION, AND METHODS OF IDENTIFICATION THEREOF SHBG, HSD11B2, HSD11B1 CA4 673/4885BBOX1 1680/4885TSHR 1111/4885

“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.