SCHEMBL7635855

SCHEMBL7635855

CCOC(=O)C(CC(OC)OC)C(OCC)OCC

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
ALOX15 P16050 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM1 P11229 1/20 0.33
ADORA1 P30542 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
TRPA1 O75762 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
SCHEMBL3453810 0.75 ALDH1A1 (0.40) ALDH1A1ALOX15HSD17B10CYP3A4LMNA
SCHEMBL3682829 0.75 ALDH1A1 (0.40) ALDH1A1ALOX15HSD17B10CYP3A4LMNA
SCHEMBL1682370 0.74 CYP3A4 (0.45) ALDH1A1ALOX15HSD17B10CYP3A4LMNA
SCHEMBL11716898 0.74 ALDH1A1 (0.39) ALDH1A1ALOX15HSD17B10CYP3A4LMNA
SCHEMBL3687350 0.72 TDP1 (0.38) ALDH1A1ALOX15HSD17B10CYP3A4LMNA
SCHEMBL9857101 0.70 ALDH1A1 (0.43) ALDH1A1ALOX15HSD17B10CYP3A4LMNA
SCHEMBL1485970 0.70 ALDH1A1 (0.43) ALDH1A1ALOX15HSD17B10CYP3A4LMNA
SCHEMBL1585638 0.69 ALDH1A1 (0.42) ALDH1A1ALOX15HSD17B10CYP3A4LMNA
SCHEMBL4966366 0.68 MGAM (0.44) ALDH1A1ALOX15HSD17B10CYP3A4LMNA
SCHEMBL19204143 0.68 ALDH1A1 (0.33) ALDH1A1LMNATSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395920-B1 OBTAINING 2-SUBSTITUTED AND 2,2- DISUBSTITUTED ACETALS OF MALONDIALDEHYDE FROM ORTHO FORMATES AND SUBSTITUTED VINYL ETHERS IN THE PRESENCE OF AN ACIDIC CATALYST CREANOVA, INC. 2002-05-28 US disclosed
US-20020040166-A1 PROCESS FOR PREPARING SUBSTITUTED ACETALS OF MALONDIALDEHYDE CREANOVA, INC. 2002-04-04 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-20020040166-A1 PROCESS FOR PREPARING SUBSTITUTED ACETALS OF MALONDIALDEHYDE AOX1, GPX4, NOX4 ALDH1A1 32/4885ALOX15 287/4885HSD17B10 323/4885

“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.