SCHEMBL838491

SCHEMBL838491

C=CC(=O)OCCOC(=O)CCCCCOC(=O)CC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.58
ALDH1A1 P00352 4/20 0.58
CYP3A4 P08684 1/20 0.58
HPGD P15428 1/20 0.49
DGKA P23743 1/20 0.46
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.39
THRB P10828 2/20 0.39
HTR2C P28335 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
FAAH O00519 1/20 0.36
DNM1 Q05193 1/20 0.36
NAAA Q02083 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
SCHEMBL9923834 0.92 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL271812 0.91 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22561253 0.89 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDDGKA
SCHEMBL22561246 0.89 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDDGKA
SCHEMBL276446 0.89 TSHR (0.73) TSHRALDH1A1CYP3A4HPGDDGKA
SCHEMBL13135371 0.88 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDDGKA
SCHEMBL12225909 0.88 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDDGKA
SCHEMBL19934814 0.87 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDDGKA
SCHEMBL295847 0.87 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11233083 0.87 TSHR (0.76) TSHRALDH1A1CYP3A4HPGDDGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8177897-B2 Phase change inks containing graphene-based carbon allotrope colorants XEROX CORPORATION (US) 2012-05-15 US disclosed
US-8142557-B2 Radiation curable ink containing gellant and radiation curable wax XEROX CORPORATION (US) 2012-03-27 US disclosed
US-20100124611-A1 Phase Change Inks Containing Graphene-Based Carbon Allotrope Colorants XEROX CORPORATION (US) 2010-05-20 US disclosed
US-20100116424-A1 ORGANIC PHASE CHANGE CARRIERS CONTAINING NANOPARTICLES, PHASE CHANGE INKS INCLUDING SAME AND METHODS FOR MAKING SAME XEROX CORPORATION (US) 2010-05-13 US disclosed
US-20100055407-A1 Ultra-Violet Curable Gellant Inks For Creating Tactile Text And Images For Packaging Applications XEROX CORPORATION (US) 2010-03-04 US disclosed
US-20100055484-A1 Ultra-Violet Curable Gellant Inks For Three-Dimensional Printing And Digital Fabrication Applications XEROX CORPORATION (US) 2010-03-04 US disclosed
US-20090317559-A1 METHOD OF CONTROLLING GLOSS IN UV CURABLE OVERCOAT COMPOSITIONS XEROX CORPORATION (US) 2009-12-24 US disclosed
US-20080000384-A1 RADIATION CURABLE INK CONTAINING GELLANT AND RADIATION CURABLE WAX XEROX CORPORATION (US) 2008-01-03 US disclosed
US-7259275-B2 Method for preparing curable amide gellant compounds XEROX CORPORATION (US) 2007-08-21 US disclosed
US-20070123724-A1 Method for preparing curable amide gellant compounds XEROX CORPORATION 2007-05-31 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-20070123724-A1 Method for preparing curable amide gellant compounds ODC1, INO80C, AOC1 TSHR 2143/4885ALDH1A1 526/4885CYP3A4 2684/4885

“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.