SCHEMBL10099803

SCHEMBL10099803

C=CC(=O)OCCOCCOC(=O)CC

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.73
ALDH1A1 P00352 6/20 0.73
TP53 P04637 3/20 0.73
HIF1A Q16665 3/20 0.73
HSD17B10 Q99714 1/20 0.73
THRB P10828 4/20 0.59
HPGD P15428 1/20 0.55
CYP3A4 P08684 2/20 0.50
NAAA Q02083 1/20 0.42
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.35
DGKA P23743 1/20 0.34
GAA P10253 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL14550291 1.00 TSHR (0.73) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11682363 0.94 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12777812 0.89 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13435132 0.88 THRB (0.73) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12452159 0.88 THRB (0.73) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10314662 0.87 THRB (0.82) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12452163 0.87 THRB (0.71) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11337706 0.86 TSHR (0.68) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13777750 0.86 TSHR (0.69) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18232150 0.86 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9717694-B2 Peptide/particle delivery systems THE JOHNS HOPKINS UNIVERSITY (US) 2017-08-01 US disclosed
US-9717694-B2 Peptide/particle delivery systems THE JOHNS HOPKINS UNIVERSITY (US) 2017-08-01 US disclosed
US-20160374949-A9 PEPTIDE/PARTICLE DELIVERY SYSTEMS THE JOHNS HOPKINS UNIVERSITY (US) 2016-12-29 US disclosed
US-20130203165-A1 SWELLABLE (METH)ACRYLATE SURFACES FOR CULTURING CELLS IN CHEMICALLY DEFINED MEDIA FADEEV ANDREI GENNADYEVICH (US) 2013-08-08 US disclosed
US-20120114759-A1 PEPTIDE/PARTICLE DELIVERY SYSTEMS THE JOHNS HOPKINS UNIVERSITY (US) 2012-05-10 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 (2 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-20160374949-A9 PEPTIDE/PARTICLE DELIVERY SYSTEMS VEGFA, IAPP, FLT1 TSHR 2490/4885ALDH1A1 4007/4885TP53 324/4885
US-20120114759-A1 PEPTIDE/PARTICLE DELIVERY SYSTEMS VEGFA, IAPP, FLT1 TSHR 2490/4885ALDH1A1 4007/4885TP53 324/4885

“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.