SCHEMBL2022397

SCHEMBL2022397

COC(=O)C(C)(C)CCC(C)(C)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.44
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.35
KCNN4 O15554 1/20 0.34
ELANE P08246 1/20 0.34
GAA P10253 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
DYRK1A Q13627 1/20 0.33
TET2 Q6N021 1/20 0.32
SRC P12931 1/20 0.31
RECQL P46063 1/20 0.31
PRSS1 P07477 1/20 0.31
CTSG P08311 1/20 0.31
CTRB1 P17538 1/20 0.31
CMA1 P23946 1/20 0.31

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
SCHEMBL19169471 0.92 DGAT1 (0.39) DGAT1CYP4F2CYP4A11TSHRALDH1A1
SCHEMBL17679314 0.90 ACLY (0.42) DGAT1CYP4F2CYP4A11TSHRALDH1A1
SCHEMBL1798350 0.87 ELANE (0.47) DGAT1CYP4F2CYP4A11TSHRALDH1A1
SCHEMBL1555747 0.87 DGAT1 (0.39) DGAT1CYP4F2CYP4A11TSHRALDH1A1
SCHEMBL364781 0.87 CYP4F2 (0.44) DGAT1CYP4F2CYP4A11TSHRALDH1A1
Hydrochloric Acid SCHEMBL4316792 0.85 DGAT1 (0.38) DGAT1CYP4F2CYP4A11TSHRKCNN4
Ammonia Solution, Strong SCHEMBL28497724 0.85 CYP4F2 (0.42) DGAT1CYP4F2CYP4A11TSHRKCNN4
SCHEMBL17068149 0.85 DGAT1 (0.38) DGAT1CYP4F2CYP4A11TSHRKCNN4
SCHEMBL1661232 0.85 DGAT1 (0.38) DGAT1CYP4F2CYP4A11TSHRKCNN4
SCHEMBL12803851 0.85 DGAT1 (0.38) DGAT1CYP4F2CYP4A11TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019110355-A1 BRANCHED ADIPIC ACID BASED ESTERS AS NOVEL BASE STOCKS AND LUBRICANTS BASF SE (DE) 2019-06-13 WO disclosed
US-20180127533-A1 One Step Synthesis of Ultrahigh Molecular Weight Block Copolymers CLEMSON UNIVERSITY RESEARCH FOUNDATION 2018-05-10 US disclosed
EP-2516378-B1 SYNTHESIS OF LIGANDS FOR USE IN ACTINIDE EXTRACTION UNIV READING (GB) 2014-01-22 EP disclosed
EP-2516378-A1 SYNTHESIS OF LIGANDS FOR USE IN ACTINIDE EXTRACTION The University of Reading (GB) 2012-10-31 EP disclosed
EP-2516378-A1 SYNTHESIS OF LIGANDS FOR USE IN ACTINIDE EXTRACTION The University of Reading (GB) 2012-10-31 EP disclosed
US-20120264935-A1 SYNTHESIS OF LIGANDS FOR USE IN ACTINIDE EXTRACTION THE UNIVERSITY OF READING (GB) 2012-10-18 US disclosed
US-20120264935-A1 SYNTHESIS OF LIGANDS FOR USE IN ACTINIDE EXTRACTION THE UNIVERSITY OF READING (GB) 2012-10-18 US disclosed
WO-2011077081-A1 SYNTHESIS OF LIGANDS FOR USE IN ACTINIDE EXTRACTION THE UNIVERSITY OF READING (GB) 2011-06-30 WO disclosed
WO-2011077081-A1 SYNTHESIS OF LIGANDS FOR USE IN ACTINIDE EXTRACTION THE UNIVERSITY OF READING (GB) 2011-06-30 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 (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-20120264935-A1 SYNTHESIS OF LIGANDS FOR USE IN ACTINIDE EXTRACTION ENO1, DIAPH1, DBN1 DGAT1 971/4885CYP4F2 2375/4885CYP4A11 3474/4885

“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.