SCHEMBL17640896

SCHEMBL17640896

COC(=O)C(C)CSCCC(=O)OCCOC(=O)CCSCC(C)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.35
TLR2 O60603 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL17632961 0.84 DGKA (0.36) DGKAADRA2AADRA1AMAPTBLM
SCHEMBL3461124 0.79 SMN1; SMN2 (0.41) TSHRSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL10608782 0.79 TSHR (0.36) TSHRHSD17B10ALDH1A1
SCHEMBL13273386 0.79 TSHR (0.33) TSHRHSD17B10
SCHEMBL12786282 0.78 MVD (0.38)
SCHEMBL12769059 0.75 CA1 (0.43) MAPTBLMHSD17B10
SCHEMBL22110077 0.75 TSHR (0.43) TSHRHSD17B10LMNATDP1
SCHEMBL7035531 0.75 CYP1A2 (0.38) DGKAMAPTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL17640897 0.74 TP53 (0.33) SMN1; SMN2ALDH1A1HTT
SCHEMBL18068957 0.74 TSHR (0.36) TSHRSMN1; SMN2HSD17B10ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10287245-B2 Liquid thioether carboxylic acid esters BASF SE (DE) 2019-05-14 US disclosed
US-20180127363-A1 LIQUID THIOETHER CARBOXYLIC ACID ESTERS BASF SE (DE) 2018-05-10 US disclosed
US-20180127363-A1 LIQUID THIOETHER CARBOXYLIC ACID ESTERS BASF SE (DE) 2018-05-10 US disclosed
WO-2016046292-A1 LIQUID THIOETHER CARBOXYLIC ACID ESTERS BASF SE (DE) 2016-03-31 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 (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-20180127363-A1 LIQUID THIOETHER CARBOXYLIC ACID ESTERS ALAD, TIPRL, CA7 DGKA 2746/4885TLR2 817/4885ADRA2A 4557/4885
US-10287245-B2 Liquid thioether carboxylic acid esters ALAD, TIPRL, CA7 DGKA 2746/4885TLR2 817/4885ADRA2A 4557/4885

“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.