SCHEMBL26855

SCHEMBL26855

CC(=O)C(O)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
ELANE P08246 1/20 0.51
LTA4H P09960 1/20 0.49
LAP3 P28838 1/20 0.49
MAOB P27338 2/20 0.49
LMNA P02545 2/20 0.47
HCAR2 Q8TDS4 1/20 0.47
CDC25B P30305 1/20 0.46
ALOX15 P16050 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL4955918 0.88 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL27707969 0.85 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL15449774 0.84 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL9122358 0.83 ALDH1A1 (0.66) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL2928989 0.81 ALDH1A1 (0.63) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL1922287 0.81 ALDH1A1 (0.63) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL3559275 0.81 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL201855 0.81 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL1107604 0.81 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL320610 0.81 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820957-B2 Low molecular weight amide/ester containing quaternary ammonium salts THE LUBRIZOL CORPORATION (US) 2023-11-21 US disclosed
US-11781085-B2 Low molecular weight imide containing quaternary ammonium salts THE LUBRIZOL CORPORATION (US) 2023-10-10 US disclosed
US-10005979-B2 Lubricant composition containing an antiwear agent THE LUBRIZOL CORPORATION (US) 2018-06-26 US disclosed
US-20170107438-A1 HIGH MOLECULAR WEIGHT IMIDE CONTAINING QUATERNARY AMMONIUM SALTS THE LUBRIZOL CORPORATION 2017-04-20 US disclosed
US-9540582-B2 Method of lubricating a driveline device THE LUBRIZOL CORPORATION (US) 2017-01-10 US disclosed
US-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2016-03-31 US disclosed
US-9238616-B2 Prodrugs of gaba analogs, compositions and uses thereof XENOPORT, INC. (US) 2016-01-19 US disclosed
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF ARBOR PHARMACEUTICALS, LLC 2015-10-29 US disclosed
US-8728996-B2 Lubricating composition containing an antiwear agent THE LUBRIZOL CORPORATION (US) 2014-05-20 US disclosed
US-8722599-B2 Lubricating compositions containing an antiwear agent THE LUBRIZOL CORPORATION (US) 2014-05-13 US disclosed
US-6972341-B2 Prodrugs of GABA analogs, compositions and uses thereof XENO PORT, INC. (US) 2005-12-06 US disclosed
EP-1569895-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2005-09-07 EP disclosed
EP-1404324-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2004-12-22 EP disclosed
US-6818787-B2 FOR THERAPY AND PROPHYLAXIS OF EPILEPSY, DEPRESSION, ANXIETY, PSYCHOSIS, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, PANIC, PAIN, INFLAMMATORY DISEASE, INSOMNIA, GASTROINTESTINAL DISORDERS XENOPORT, INC. 2004-11-16 US disclosed
WO-2004052844-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2004-06-24 WO disclosed
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2004-04-22 US disclosed
EP-1404324-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2004-04-07 EP disclosed
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof ARBOR PHARMACEUTICALS, LLC 2004-01-08 US disclosed
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2003-09-18 US disclosed
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 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 (5 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-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885TDP1 1112/4885MAPK1 4760/4885
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885TDP1 1112/4885MAPK1 4760/4885
US-20040077553-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885TDP1 1112/4885MAPK1 4760/4885
US-20040006132-A1 Prodrugs of gaba analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885TDP1 1112/4885MAPK1 4760/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885TDP1 1112/4885MAPK1 4760/4885

“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.