SCHEMBL3299164

SCHEMBL3299164

O=Cc1cccc2ccc(C(=O)O)c(C=O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 3/20 0.45
TSHR P16473 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
WDR5 P61964 1/20 0.40
LDHA P00338 1/20 0.39
CYP2A6 P11509 1/20 0.39
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
CYP1A2 P05177 2/20 0.38
ERN1 O75460 3/20 0.37
POLB P06746 2/20 0.36
GLA P06280 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
PIM1 P11309 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
SCHEMBL7598992 0.86 HSD17B10 (0.46) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL29953603 0.83 HSD17B10 (0.56) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL1688876 0.82 HSD17B10 (0.60) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL29563927 0.82 HSD17B10 (0.60) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL547555 0.78 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL4944634 0.75 THRB (0.52) KMT2AMEN1ALDH1A1HSD17B10TSHR
SCHEMBL12942838 0.74 HSD17B10 (0.46) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL548664 0.74 ERN1 (0.36) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL547877 0.74 WDR5 (0.61) KMT2AMEN1ALDH1A1KDM4EWDR5
Benzene SCHEMBL28172839 0.73 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4ETSHRNR4A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
EP-1956054-B1 Phase change ink XEROX CORP (US) 2010-11-24 EP disclosed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US disclosed
EP-1958993-A1 Phase change inks containing colorant compounds Xerox Corporation (US) 2008-08-20 EP disclosed
EP-1956054-A2 Colorant compounds Xerox Corporation (US) 2008-08-13 EP disclosed
US-20080187664-A1 Phase change inks containing colorant compounds XEROX CORPORATION 2008-08-07 US disclosed
US-20080184910-A1 Mixture of basic dye and wax XEROX CORPORATION 2008-08-07 US disclosed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US disclosed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US disclosed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US disclosed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 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 (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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 KMT2A 1624/4885MEN1 685/4885ALDH1A1 1569/4885

“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.