SCHEMBL366832

SCHEMBL366832

O=C(OCc1ccccc1)[C@H](O)[C@@H](O)C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TDP1 Q9NUW8 3/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A3 Q01959 1/20 0.59
KMT2A Q03164 1/20 0.59
LTA4H P09960 1/20 0.58
LAP3 P28838 1/20 0.58
LMNA P02545 3/20 0.53
HCAR2 Q8TDS4 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CTRB1 P17538 2/20 0.47
CDC25B P30305 1/20 0.47

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
SCHEMBL1600361 1.00 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL14066236 1.00 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL6575848 1.00 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL6012976 0.94 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL8426058 0.94 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
Benzyl Alcohol SCHEMBL27898646 0.92 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL8424336 0.91 ALDH1A1 (0.56) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL8424338 0.91 ALDH1A1 (0.56) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL15449774 0.91 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL19853604 0.91 ALDH1A1 (0.52) 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 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447297-B2 Phase change ink containing amorphous amides XEROX CORPORATION (US) 2016-09-20 US claimed
US-9193883-B2 Phase change ink containing polyester for improved image robustness XEROX CORPORATION (US) 2015-11-24 US claimed
US-9127180-B2 Phase change inks comprising organic pigments XEROX CORPORATION (US) 2015-09-08 US claimed
US-9090791-B2 Mixtures of ester of tartaric acid and ester of citric acid as amorphous materials for phase change inks XEROX CORPORATION (US) 2015-07-28 US claimed
US-9051486-B2 Phase change ink components and methods of making the same XEROX CORPORATION (US) 2015-06-09 US claimed
US-20150103122-A1 Phase Change Ink Containing Amorphous Amides XEROX CORPORATION (US) 2015-04-16 US claimed
US-20140368588-A1 Phase Change Ink Containing Polyester For Improved Image Robustness Genesee Valley Innovations, LLC 2014-12-18 US claimed
US-8911544-B2 Phase change ink composition XEROX CORPORATION (US) 2014-12-16 US claimed
US-20140352576-A1 MIXTURES OF ESTER OF TARTARIC ACID AND ESTER OF CITRIC ACID AS AMORPHOUS MATERIALS FOR PHASE CHANGE INKS Genesee Valley Innovations, LLC 2014-12-04 US claimed
US-20140357772-A1 PHASE CHANGE INK COMPOSITIONS COMPRISING MIXTURES OF ESTER OF TARTARIC ACID AND ESTER OF CITRIC ACID AS AMORPHOUS MATERIALS Genesee Valley Innovations, LLC 2014-12-04 US claimed
US-20140041546-A1 PHASE CHANGE INK COMPONENTS AND METHODS OF MAKING THE SAME XEROX CORPORATION (US) 2014-02-13 US claimed
US-8647423-B2 Phase change inks comprising fatty acids XEROX CORPORATION (US) 2014-02-11 US claimed
US-20130284057-A1 PHASE CHANGE INKS COMPRISING ORGANIC PIGMENTS XEROX CORPORATION (US) 2013-10-31 US claimed
US-20130284051-A1 PHASE CHANGE INKS COMPRISING FATTY ACIDS XEROX CORPORATION (US) 2013-10-31 US claimed
US-8465579-B2 Solid ink compositions comprising crystalline esters of tartaric acid XEROX CORPORATION (US) 2013-06-18 US claimed
US-20120291663-A1 PHASE CHANGE INK COMPONENTS AND METHODS OF MAKING THE SAME XEROX CORPORATION (US) 2012-11-22 US claimed
US-8308859-B1 Phase change ink components and methods of making the same XEROX CORPORATION (US) 2012-11-13 US claimed
US-20120272860-A1 PHASE CHANGE INK COMPONENTS AND METHODS OF MAKING THE SAME XEROX CORPORATION (US) 2012-11-01 US claimed
US-20120272863-A1 SOLID INK COMPOSITIONS COMPRISING CRYSTALLINE ESTERS OF TARTARIC ACID XEROX CORPORATION (US) 2012-11-01 US claimed
WO-2012007019-A1 PROCESS FOR THE PREPARATION OF CLOPIDOGREL AND SALTS THEREOF PHARMATHEN S.A. (GR) 2012-01-19 WO claimed

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-20120291663-A1 PHASE CHANGE INK COMPONENTS AND METHODS OF MAKING THE SAME ALK, TARDBP, MAPT ALDH1A1 814/4885TDP1 38/4885MAPK1 327/4885

“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.