SCHEMBL3458239

SCHEMBL3458239

CCCC(CC)(C(=O)O)N(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3457541 0.85 ALDH1A1 (0.33) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL869827 0.84 CES2 (0.40) MEN1ALDH1A1KMT2A
SCHEMBL546145 0.84 CES2 (0.40) MEN1ALDH1A1KMT2A
SCHEMBL28892225 0.80 MEN1 (0.32) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL28892224 0.80 MEN1 (0.32) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL5176057 0.76 CES2 (0.39) MEN1ALDH1A1KMT2A
SCHEMBL30105448 0.74 DNM1 (0.36) MEN1KMT2A
SCHEMBL5480138 0.72
SCHEMBL9279731 0.70 ALDH1A1 (0.33) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL580695 0.70 ALDH1A1 (0.38) MEN1ALDH1A1CYP1A2THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759285-B2 Mixture of a salt of 3-(dimethylamino)-2-(hydroxyl)-butylate and an amine compound of 3,3'-diaminopropylamine, 4-aminomethylpiperidine, or 2-aminomethylpiperidine which promotes the reaction KOREA ELECTRIC POWER CORPORATION (KR) 2010-07-20 US claimed
CN-101190397-A Absorbent for separation of carbon dioxide KOREA ELECTRIC POWER CORP (KR) 2008-06-04 CN claimed
US-20080125314-A1 Mixture of a salt of 3-(dimethylamino)-2-(hydroxyl)-butylate and an amine compound of 3,3'-diaminopropylamine, 4-aminomethylpiperidine, or 2-aminomethylpiperidine which promotes the reaction KOREA ELECTRIC POWER CORPORATION (KR) 2008-05-29 US claimed
CN-101190397-B Absorbent for separation of carbon dioxide KOREA ELECTRIC POWER CORP 2011-09-14 CN disclosed
US-7759285-B2 Mixture of a salt of 3-(dimethylamino)-2-(hydroxyl)-butylate and an amine compound of 3,3'-diaminopropylamine, 4-aminomethylpiperidine, or 2-aminomethylpiperidine which promotes the reaction KOREA ELECTRIC POWER CORPORATION (KR) 2010-07-20 US disclosed
CN-101190397-A Absorbent for separation of carbon dioxide KOREA ELECTRIC POWER CORP (KR) 2008-06-04 CN disclosed
US-20080125314-A1 Mixture of a salt of 3-(dimethylamino)-2-(hydroxyl)-butylate and an amine compound of 3,3'-diaminopropylamine, 4-aminomethylpiperidine, or 2-aminomethylpiperidine which promotes the reaction KOREA ELECTRIC POWER CORPORATION (KR) 2008-05-29 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 (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-20080125314-A1 Mixture of a salt of 3-(dimethylamino)-2-(hydroxyl)-butylate and an amine compound of 3,3'-diaminopropylamine, 4-aminomethylpiperidine, or 2-aminomethylpiperidine which promotes the reaction SLC7A1, ALDH7A1, DDC MEN1 3795/4885ALDH1A1 106/4885CYP1A2 676/4885

“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.