SCHEMBL20162273

SCHEMBL20162273

CCCOc1ccc(C=C(C(=O)OC)C(=O)OC)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NR1H4 Q96RI1 1/20 0.50
PLK1 P53350 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
FAAH O00519 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
MAPK1 P28482 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
SCHEMBL430650 0.94 NR1H4 (0.50) NR1H4ABCG2CYP1A2
SCHEMBL31483425 0.88 NR1H4 (0.57) MEN1KMT2ANR1H4PLK1ABCG2
SCHEMBL6380238 0.88 NR1H4 (0.47) NR1H4MAPT
SCHEMBL20162270 0.87 NR1H4 (0.56) MEN1KMT2ANR1H4PLK1LMNA
SCHEMBL6484837 0.86 NR1H4 (0.46) MEN1KMT2ANR1H4PTGS2LMNA
SCHEMBL12869940 0.85 NR1H4 (0.50) MEN1KMT2ANR1H4LMNAMAPT
SCHEMBL8735315 0.84 MEN1 (0.48) MEN1KMT2ANR1H4PLK1ABCG2
SCHEMBL31483445 0.83 NR1H4 (0.56) MEN1KMT2ANR1H4ABCG2L3MBTL1
SCHEMBL31483403 0.82 MEN1 (0.47) MEN1KMT2APLK1ABCG2L3MBTL1
SCHEMBL9061094 0.82 NR1H4 (0.46) MEN1KMT2ANR1H4L3MBTL1LMNA

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

“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.