SCHEMBL22490215

SCHEMBL22490215

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TET2 Q6N021 3/20 0.38
TET3 O43151 1/20 0.38
TET1 Q8NFU7 1/20 0.38
CASP1 P29466 1/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GLO1 Q04760 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
THRB P10828 1/20 0.33
EGLN1 Q9GZT9 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
SCHEMBL7067240 0.82 ALDH1A1 (0.44) ALDH1A1TSHRCYP2D6CYP2C19CASP1
SCHEMBL10457630 0.82 ALDH1A1 (0.44) ALDH1A1TSHRCYP2D6CYP2C19CASP1
SCHEMBL179918 0.79 ALDH1A1 (0.45) ALDH1A1TSHRCYP2D6CYP2C19CASP1
SCHEMBL19266457 0.79 ALDH1A1 (0.42) ALDH1A1TSHRCYP2D6CYP2C19CASP1
SCHEMBL4543582 0.78 ALDH1A1 (0.41) ALDH1A1TSHRCYP2D6CYP2C19CASP1
SCHEMBL1604823 0.78 ALDH1A1 (0.41) ALDH1A1TSHRCYP2D6CYP2C19CASP1
SCHEMBL22490384 0.78 ALDH1A1 (0.41) ALDH1A1TSHRCYP2D6CYP2C19CASP1
SCHEMBL5885445 0.78 ALDH1A1 (0.41) ALDH1A1TSHRCYP2D6CYP2C19CASP1
SCHEMBL9747118 0.78 ALDH1A1 (0.44) ALDH1A1TSHRCYP2D6CYP2C19CASP1
SCHEMBL11159306 0.78 SOAT1 (0.39) ALDH1A1TSHRCYP2D6CYP2C19CASP1

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
EP-3716956-B1 ANTITUMOR TET2 MODULATING COMPOUNDS CLEVELAND CLINIC FOUND (US) 2024-06-26 EP disclosed
US-20200306221-A1 ANTITUMOR TET2 MODULATING COMPOUNDS THE CLEVELAND CLINIC FOUNDATION 2020-10-01 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-20200306221-A1 ANTITUMOR TET2 MODULATING COMPOUNDS TET2, TET1, TET3 ALDH1A1 1517/4885TSHR 4525/4885CYP2D6 3714/4885

“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.