SCHEMBL20162247

SCHEMBL20162247

CCOc1cc(C=C(C(=O)OC(C)C)C(=O)OC(C)C)cc(OCC)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 1/20 0.43
PTP4A2 Q12974 1/20 0.43
PTP4A1 Q93096 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 4/20 0.40
TOP2A P11388 1/20 0.39
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
MAPT P10636 6/20 0.38
LMNA P02545 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
ALPG P10696 2/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37

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
SCHEMBL20162246 0.89 PTP4A3 (0.41) PTP4A3PTP4A2PTP4A1KDM4EMEN1
SCHEMBL20162268 0.85 ALDH1A1 (0.57) KDM4EALDH1A1TOP2AMEN1KMT2A
SCHEMBL2903666 0.84 PTP4A3 (0.57) PTP4A3PTP4A2PTP4A1KDM4EALDH1A1
SCHEMBL20162234 0.84 MAPT (0.51) KDM4EALDH1A1TOP2AMEN1KMT2A
SCHEMBL23407471 0.84 MEN1 (0.57) PTP4A1KDM4EALDH1A1TOP2AMEN1
SCHEMBL20162278 0.80 KDM4E (0.46) KDM4EALDH1A1TOP2AMEN1KMT2A
SCHEMBL23407473 0.80 KDM4E (0.41) KDM4EALDH1A1TOP2AMEN1KMT2A
SCHEMBL23407459 0.80 ALOX5 (0.47) KDM4EALDH1A1TOP2AMEN1KMT2A
SCHEMBL23407462 0.78 ESR1 (0.43) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL8734502 0.78 NR1H4 (0.53) KDM4EALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210161783-A1 USE OF SPECIFIC BENZYLIDENE MALONATES FOR PROTECTING THE SKIN FROM CHEMICALLY INDUCED STRESS MERCK PATENT GMBH (DE) 2021-06-03 US disclosed
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 (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-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS LPO, CAT, GPX4 PTP4A3 3582/4885PTP4A2 4139/4885PTP4A1 3983/4885
US-20210161783-A1 USE OF SPECIFIC BENZYLIDENE MALONATES FOR PROTECTING THE SKIN FROM CHEMICALLY INDUCED STRESS MAL2, GAA, ME2 PTP4A3 1356/4885PTP4A2 1439/4885PTP4A1 1509/4885

“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.