Sugi Predict

Sugi Predict / Compounds / SCHEMBL29201442

SCHEMBL29201442

SCHEMBL29201442

CCOC(=O)[O-].CCOCC[N+](CC)(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ THRB P10828 1/20 0.35
▸ LMNA P02545 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ GAA P10253 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ MGAM O43451 1/20 0.31
▸ SI P14410 1/20 0.31
▸ MGAM2 Q2M2H8 1/20 0.31
▸ SOAT1 P35610 1/20 0.31
▸ CHRNB2 P17787 2/20 0.31
▸ CHRNB4 P30926 2/20 0.31
▸ CHRNA3 P32297 2/20 0.31
▸ CHRNA7 P36544 2/20 0.31
▸ CHRNA4 P43681 2/20 0.31

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
SCHEMBL29201328 0.91 ALDH1A1 (0.36) ALDH1A1TSHRCHRM2CHRM1CHRM3
Bicarbonate SCHEMBL29201333 0.86 CHRM2 (0.40) ALDH1A1TSHRCHRM2CHRM1CHRM3
Propionic Acid SCHEMBL142973 0.85 ALDH1A1 (0.38) ALDH1A1TSHRCHRM2CHRM1CHRM3
SCHEMBL29201386 0.83 ALDH1A1 (0.35) ALDH1A1TSHRCHRM2CHRM1CHRM3
Tetrylammonium SCHEMBL717661 0.82 ALDH1A1 (0.43) ALDH1A1TSHRLMNAHSD17B10GAA
Butyric Acid SCHEMBL146285 0.80 FFAR3 (0.50) ALDH1A1TSHRCHRM2CHRM1CHRM3
SCHEMBL16352885 0.79 CHRNA7 (0.41) ALDH1A1TSHRCHRM2CHRM1CHRM3
SCHEMBL17418461 0.79 BBOX1 (0.38) ALDH1A1TSHRCHRM2CHRM1CHRM3
Methoxyacetic Acid SCHEMBL17418644 0.79 ALDH1A1 (0.33) ALDH1A1TSHRCHRM2CHRM1CHRM3
Bicarbonate SCHEMBL29201350 0.78 ALDH1A1 (0.35) ALDH1A1TSHRCHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122323-A1 ONIUM SALT, BLOCKING AGENT DISSOCIATION CATALYST FOR BLOCKED ISOCYANATE, BLOCKED ISOCYANTE COMPOSITION INCLUDING BLOCKING AGENT DISSOCIATION CATALYST, THERMOSETTING RESIN COMPOSITION, AND CURED PRODUCT AND MANUFACTURING METHOD THEREFOR KOEI CHEMICAL COMPANY, LIMITED (JP) 2025-04-17 — — US disclosed
CN-117813334-A Onium salt, blocking agent dissociation catalyst for blocking isocyanate, blocked isocyanate composition containing blocking agent dissociation catalyst, thermosetting resin composition, cured product, and method for producing same 广荣化学株式会社 2024-04-02 — — 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-20250122323-A1 ONIUM SALT, BLOCKING AGENT DISSOCIATION CATALYST FOR BLOCKED ISOCYANATE, BLOCKED ISOCYANTE COMPOSITION INCLUDING BLOCKING AGENT DISSOCIATION CATALYST, THERMOSETTING RESIN COMPOSITION, AND CURED PRODUCT AND MANUFACTURING METHOD THEREFOR KDM2B, O60361, IDH3B ALDH1A1 1023/4885TSHR 4297/4885CHRM2 2184/4885

“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.