SCHEMBL8634142

SCHEMBL8634142

CCCN(CCO)C(=O)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
CA2 P00918 3/20 0.44
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.38
CA1 P00915 3/20 0.37
PYGL P06737 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH2 P05091 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 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
SCHEMBL3628031 0.93 POLB (0.41) ALDH1A1HPGDCA12CA9CA2
SCHEMBL1224664 0.90 ALDH1A1 (0.56) ALDH1A1HPGDCA12CA9CA2
SCHEMBL18435281 0.87 ALDH1A1 (0.54) ALDH1A1HPGDCA12CA9CA2
SCHEMBL7719427 0.86 CA12 (0.48) ALDH1A1HPGDCA12CA9CA2
SCHEMBL8635207 0.86 ALDH1A1 (0.45) ALDH1A1HPGDCA12CA9CA2
SCHEMBL16159995 0.86 ALDH1A1 (0.48) ALDH1A1HPGDCA12CA9CA2
SCHEMBL13246033 0.85 CA12 (0.42) ALDH1A1CA12CA9CA2TSHR
SCHEMBL8632384 0.84 ALDH1A1 (0.57) ALDH1A1HPGDCA12CA9CA2
SCHEMBL134968 0.83 ALDH1A1 (0.46) ALDH1A1HPGDCA12CA9CA2
SCHEMBL1396575 0.83 ALDH1A1 (0.37) ALDH1A1HPGDCA12CA9CA2

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-5851274-A Ink jet ink compositions and processes for high resolution and high speed printing XEROX CORPORATION (US) 1998-12-22 US claimed
EP-0853107-A1 Ink jet ink compositions comprising hydroxyamide derivatives and printing processes XEROX CORPORATION (US) 1998-07-15 EP claimed
EP-0853108-A1 Ink jet ink compositions and processes for high resolution and high speed printing XEROX CORPORATION (US) 1998-07-15 EP claimed
US-5693129-A AQUEOUS MIXCTURE CONTAINING COLORING AND A HYDROXYAMIDE, THIOAMIDE, MERCAPTOAMIDE, MERCAPTOTHIOAMIDE OR AN OXYALKYLENE OR A THIOALKYLENE REACTION PRODUCT OF THE AMIDES, FOR HIGH RESOLUTION, REDUCED CURLING XEROX CORPORATION (US) 1997-12-02 US claimed
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2016-08-25 US disclosed
US-20150087687-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS (US) 2015-03-26 US disclosed
US-20100132253-A1 FUEL ADDITIVES AND FUEL COMPOSITIONS AND METHODS FOR MAKING AND USING THE SAME TACONIC ENERGY, INC. (US) 2010-06-03 US disclosed
US-5851274-A Ink jet ink compositions and processes for high resolution and high speed printing XEROX CORPORATION (US) 1998-12-22 US disclosed
EP-0853107-A1 Ink jet ink compositions comprising hydroxyamide derivatives and printing processes XEROX CORPORATION (US) 1998-07-15 EP disclosed
EP-0853108-A1 Ink jet ink compositions and processes for high resolution and high speed printing XEROX CORPORATION (US) 1998-07-15 EP disclosed
US-5693129-A AQUEOUS MIXCTURE CONTAINING COLORING AND A HYDROXYAMIDE, THIOAMIDE, MERCAPTOAMIDE, MERCAPTOTHIOAMIDE OR AN OXYALKYLENE OR A THIOALKYLENE REACTION PRODUCT OF THE AMIDES, FOR HIGH RESOLUTION, REDUCED CURLING XEROX CORPORATION (US) 1997-12-02 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 (3 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-20100132253-A1 FUEL ADDITIVES AND FUEL COMPOSITIONS AND METHODS FOR MAKING AND USING THE SAME FADS1, ELOVL1, FASN ALDH1A1 281/4885HPGD 2587/4885CA12 3499/4885
US-20150087687-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO CYP7A1, CYP3A7, UGT2B7 ALDH1A1 455/4885HPGD 252/4885CA12 2156/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 ALDH1A1 2624/4885HPGD 927/4885CA12 4377/4885

“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.