SCHEMBL22490102

SCHEMBL22490102

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.41
STING1 Q86WV6 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
PKM P14618 3/20 0.34
MMP8 P22894 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GLO1 Q04760 1/20 0.33
POLB P06746 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 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
SCHEMBL7067023 0.83 MMP8 (0.42) ALDH1A1TSHRCYP4F2CYP4A11PKM
SCHEMBL12574804 0.81 STING1 (0.40) TET2STING1ALDH1A1TSHRCYP4F2
SCHEMBL2770601 0.81 MEN1 (0.43) ALDH1A1TSHRCYP4F2CYP4A11PKM
SCHEMBL12130916 0.80 ALDH1A1 (0.45) TET2ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL22490385 0.79 ALDH1A1 (0.41) ALDH1A1TSHRCYP4F2CYP4A11PKM
SCHEMBL7066945 0.78 MEN1 (0.41) ALDH1A1TSHRCYP4F2CYP4A11PKM
SCHEMBL22490383 0.77 POLB (0.52) TET2ALDH1A1TSHRMAPTNPSR1
SCHEMBL6667303 0.76 HMGCR (0.46) STING1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL3280616 0.76 GAA (0.46) STING1ALDH1A1CYP4F2CYP4A11PKM
SCHEMBL4893886 0.76 ALDH1A1 (0.36) STING1ALDH1A1TSHRPKMMAPT

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 TET2 1/4885STING1 194/4885ALDH1A1 1517/4885

“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.