SCHEMBL6829993

SCHEMBL6829993

C=C(C)COC(=O)CC(=O)OCC(=C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.48
GAA P10253 2/20 0.48
SI P14410 2/20 0.48
MGAM2 Q2M2H8 2/20 0.48
ALDH1A1 P00352 4/20 0.42
TSHR P16473 6/20 0.38
THRB P10828 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
GPR174 Q9BXC1 1/20 0.33
HSD17B10 Q99714 4/20 0.32
LMNA P02545 1/20 0.32
EPHX1 P07099 1/20 0.32
TGFBR1 P36897 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
SCHEMBL4848958 0.91 GAA (0.65) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9204032 0.90 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6829994 0.88 MGAM (0.37) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11355140 0.84 ALDH1A1 (0.34) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16068775 0.83 HSD17B10 (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4673728 0.82
SCHEMBL9199157 0.82
SCHEMBL1332051 0.82
SCHEMBL6638603 0.82
SCHEMBL3503171 0.82

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-20230098847-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2023-03-30 US disclosed
US-11390585-B2 Quaternary heteroatom containing compounds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-07-19 US disclosed
WO-2004076425-A1 IMPROVED SYNTHESIS OF MACROCYCLIC TETRAAMIDO COMPOUNDS AND NEW METAL INSERTION PROCESS CARNEGIE MELLON UNIVERSITY (US) 2004-09-10 WO disclosed
EP-0845466-B1 Silicon containing filtering agents and cosmetic sunscreen compositions containing them OREAL (FR) 2000-01-19 EP disclosed
EP-0845466-A1 Silicon containing filtering agents and cosmetic sunscreen compositions containing them L'OREAL (FR) 1998-06-03 EP 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-11390585-B2 Quaternary heteroatom containing compounds SDHA, NQO1, SDHB MGAM 1904/4885GAA 1686/4885SI 3287/4885
US-20230098847-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS SDHA, NQO1, SDHB MGAM 1904/4885GAA 1686/4885SI 3287/4885

“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.