SCHEMBL3457541

SCHEMBL3457541

CCC(CC)(C(=O)O)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
FFAR3 O14843 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
RIPK1 Q13546 1/20 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
SCHEMBL3458239 0.85 MEN1 (0.33) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL869827 0.79 CES2 (0.40) ALDH1A1MEN1KMT2ATSHR
SCHEMBL9279731 0.78 ALDH1A1 (0.33) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL27843740 0.76 HIF1A (0.47) ALDH1A1MEN1KMT2ATSHRCYP2D6
SCHEMBL9438172 0.75 TET2 (0.30)
SCHEMBL5176057 0.74 CES2 (0.39) ALDH1A1MEN1KMT2ATSHR
SCHEMBL9250725 0.72 ALDH1A1 (0.33) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL11186484 0.71 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ATSHR
SCHEMBL13276122 0.70 TDP1 (0.33) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL10768836 0.70 TSHR (0.36) ALDH1A1FFAR3MEN1CYP1A2THRB

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
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
US-5998496-A ABSORBING RADIATION SPECTRA GROUP LIMITED, INC. (US) 1999-12-07 US disclosed
EP-0871607-A4 PHOTOSENSITIVE INTRAMOLECULAR ELECTRON TRANSFER COMPOUNDS SPECTRA GROUP LTD INC (US) 1999-09-29 EP disclosed
EP-0871607-A1 PHOTOSENSITIVE INTRAMOLECULAR ELECTRON TRANSFER COMPOUNDS SPECTRA GROUP LIMITED INC (US) 1998-10-21 EP disclosed
WO-1997016406-A1 PHOTOSENSITIVE INTRAMOLECULAR ELECTRON TRANSFER COMPOUNDS SPECTRA GROUP LIMITED, INC. (US) 1997-05-09 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-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 ALDH1A1 106/4885FFAR3 2086/4885MEN1 3795/4885

“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.