SCHEMBL31136005

SCHEMBL31136005

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
TSHR P16473 3/20 0.45
THRB P10828 1/20 0.44
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
TDP1 Q9NUW8 1/20 0.39
DNM1 Q05193 1/20 0.38
EPHX2 P34913 1/20 0.36
PPARG P37231 5/20 0.35
PPARA Q07869 1/20 0.35
TRPA1 O75762 1/20 0.35
FBP1 P09467 1/20 0.35

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
SCHEMBL31325309 1.00 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCES2CES1
SCHEMBL264832 1.00 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCES2CES1
SCHEMBL30906963 1.00 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCES2CES1
SCHEMBL1117292 1.00 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCES2CES1
SCHEMBL491198 1.00 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCES2CES1
SCHEMBL1117388 1.00 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCES2CES1
SCHEMBL1117344 1.00 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCES2CES1
SCHEMBL264639 1.00
SCHEMBL1117329 1.00 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCES2CES1
SCHEMBL1117312 1.00 ALDH1A1 (1.00) ALDH1A1TSHRTHRBCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727916-A1 MIXED AMIDE ESTER CONTAINING LIPIDS FOR USE IN LIPID NANOPARTICLES Acuitas Therapeutics, Inc. (CA) 2026-04-22 EP disclosed
EP-3638678-B1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF AGENTS MODERNATX INC (US) 2025-12-03 EP disclosed
EP-4036079-B1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF AGENTS MODERNATX INC (US) 2025-11-19 EP disclosed
US-20250025427-A1 MIXED AMIDE ESTER CONTAINING LIPIDS FOR USE IN LIPID NANOPARTICLES Acuitas Therapeutics, Inc. (CA) 2025-01-23 US disclosed
WO-2024259356-A1 MIXED AMIDE ESTER CONTAINING LIPIDS FOR USE IN LIPID NANOPARTICLES Acuitas Therapeutics, Inc. (CA) 2024-12-19 WO disclosed
US-12077501-B2 Compounds and compositions for intracellular delivery of agents MODERNATX, INC. (US) 2024-09-03 US 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 (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-20250025427-A1 MIXED AMIDE ESTER CONTAINING LIPIDS FOR USE IN LIPID NANOPARTICLES LIPA, LIPC, PHOSPHO1 ALDH1A1 552/4885TSHR 1135/4885THRB 192/4885
US-12077501-B2 Compounds and compositions for intracellular delivery of agents LNPK, PLTP, PHOSPHO1 ALDH1A1 4687/4885TSHR 3222/4885THRB 3215/4885

“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.