SCHEMBL1444357

SCHEMBL1444357

COCCN(CCOC)c1ccc(C=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
ALDH1A3 P47895 4/20 0.60
ALDH3A1 P30838 2/20 0.60
CYP2A6 P11509 3/20 0.48
CYP2A13 Q16696 1/20 0.48
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
FDPS P14324 1/20 0.39
PPARG P37231 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGER4 P35408 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GLA P06280 1/20 0.36
GFER P55789 1/20 0.36
ESRRG P62508 1/20 0.36

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
SCHEMBL10938401 0.93 ALDH1A1 (0.67) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL11579761 0.85 ALDH1A1 (0.49) ALDH1A1ALDH1A3ALDH3A1KDM4EGAA
SCHEMBL18562084 0.84 KMT2A (0.37) ALDH1A1ALDH1A3ALDH3A1L3MBTL1MAPT
SCHEMBL18692778 0.84 CYP2A6 (0.52) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL12733240 0.81 ALDH1A1 (0.41) ALDH1A1ALDH1A3ALDH3A1KDM4EGAA
SCHEMBL4256907 0.80 ALDH1A1 (0.59) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL6571146 0.80 ALDH1A1 (0.40) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL17508218 0.80 ALDH1A1 (0.44) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL7987478 0.80 ALDH1A1 (0.53) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL1298937 0.80 ALDH1A1 (0.53) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
US-20160039795-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2016-02-11 US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 US disclosed
EP-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 EP disclosed
EP-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 EP disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 US disclosed
EP-2475428-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2012-07-18 EP disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 US disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 US disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 US disclosed
WO-2011029920-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2011-03-17 WO disclosed
WO-2011029920-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2011-03-17 WO disclosed
US-20070134737-A1 Fluorophore compounds and their use in biological systems STANFORD UNIVERSITY (US) 2007-06-14 US disclosed
US-20070134737-A1 Fluorophore compounds and their use in biological systems STANFORD UNIVERSITY (US) 2007-06-14 US disclosed
US-20050009109-A1 FLUOROPHORE COMPOUNDS AND THEIR USE IN BIOLOGICAL SYSTEMS STANFORD UNIVERSITY (US) 2005-01-13 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 (4 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-20070134737-A1 Fluorophore compounds and their use in biological systems DHODH, DUT, DPYD ALDH1A1 371/4885ALDH1A3 415/4885ALDH3A1 174/4885
US-20110092501-A1 NOVEL INHIBITORS GLUL, QPCT, GLS ALDH1A1 2195/4885ALDH1A3 2529/4885ALDH3A1 931/4885
US-20160039795-A1 NOVEL INHIBITORS GLUL, QPCT, GLS ALDH1A1 2195/4885ALDH1A3 2529/4885ALDH3A1 931/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS ALDH1A1 2195/4885ALDH1A3 2529/4885ALDH3A1 931/4885

“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.