SCHEMBL20162270

SCHEMBL20162270

CCOc1ccc(C=C(C(=O)OC)C(=O)OC)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.56
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
S1PR4 O95977 1/20 0.51
S1PR1 P21453 1/20 0.51
MAPK1 P28482 1/20 0.51
RELA Q04206 1/20 0.50
MAOB P27338 1/20 0.49
PLK1 P53350 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL12869940 0.88 NR1H4 (0.50) NR1H4MEN1KMT2ALMNAMAPT
SCHEMBL20162273 0.87 MEN1 (0.51) NR1H4MEN1KMT2ALMNAMAPT
SCHEMBL430650 0.87 NR1H4 (0.50) NR1H4CYP1A2
SCHEMBL11100803 0.87 NR1H4 (0.72) NR1H4MEN1KMT2ALMNAMAPT
SCHEMBL8734502 0.84 NR1H4 (0.53) NR1H4MEN1KMT2ALMNAMAPT
SCHEMBL6380238 0.84 NR1H4 (0.47) NR1H4MAPT
SCHEMBL13552273 0.84 MAPT (0.56) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL11250951 0.83 NR1H4 (0.55) NR1H4MEN1KMT2ALMNAMAPT
SCHEMBL4964229 0.83 NR1H4 (0.46) NR1H4MEN1KMT2ALMNAMAPT
SCHEMBL8182437 0.83 MEN1 (0.64) NR1H4MEN1KMT2ALMNAMAPT

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 NR1H4 3809/4885MEN1 3221/4885KMT2A 3996/4885

“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.