SCHEMBL20162268

SCHEMBL20162268

CCOc1cc(C=C(C(=O)OC(C)C)C(=O)OC(C)C)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TOP2A P11388 1/20 0.54
MEN1 O00255 8/20 0.52
KMT2A Q03164 8/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51
MAPT P10636 5/20 0.48
KLK7 P49862 1/20 0.47
ST14 Q9Y5Y6 1/20 0.47
ABL1 P00519 2/20 0.47
ABCB1 P08183 1/20 0.47
BCR P11274 1/20 0.47
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
GAA P10253 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL20162254 0.90 MAPT (0.46) ALDH1A1TOP2AMEN1KMT2AL3MBTL1
SCHEMBL20162247 0.85 PTP4A3 (0.43) ALDH1A1TOP2AMEN1KMT2AL3MBTL1
SCHEMBL29601206 0.85 MAPT (0.67) ALDH1A1TOP2AMEN1KMT2AALPI
SCHEMBL168150 0.85 MAPT (0.67) ALDH1A1TOP2AMEN1KMT2AALPI
SCHEMBL20162241 0.85 TOP2A (0.62) ALDH1A1TOP2AMEN1KMT2AL3MBTL1
SCHEMBL4919468 0.82 MAPT (0.70) ALDH1A1TOP2AMEN1KMT2AL3MBTL1
SCHEMBL8734502 0.80 NR1H4 (0.53) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL30883297 0.79 MAPT (0.58) ALDH1A1TOP2AMEN1KMT2AL3MBTL1
SCHEMBL12693583 0.79 MAPT (0.58) ALDH1A1TOP2AMEN1KMT2AL3MBTL1
SCHEMBL2208983 0.79 MAPT (0.74) ALDH1A1TOP2AMEN1KMT2AALPI

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-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
EP-3322400-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS Merck Patent GmbH (DE) 2018-05-23 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 (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-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS LPO, CAT, GPX4 ALDH1A1 1313/4885TOP2A 838/4885MEN1 3221/4885

“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.