SCHEMBL13445494

SCHEMBL13445494

COCCOCCOCCOCCOCCOCCOCCOC(=O)C(=Cc1ccc(OC)cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MAPT P10636 4/20 0.56
LMNA P02545 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HSP90AA1 P07900 1/20 0.56
MEN1 O00255 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
S1PR4 O95977 1/20 0.49
S1PR1 P21453 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NR1H4 Q96RI1 1/20 0.44
ALDH1A1 P00352 2/20 0.43
APP P05067 2/20 0.42
GSK3B P49841 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL13445500 0.93 KMT2A (0.65) KMT2AMAPTLMNAKDM4EHSP90AA1
SCHEMBL28126890 0.84 KMT2A (0.53) KMT2AMAPTLMNAKDM4EHSP90AA1
SCHEMBL13445493 0.83 LMNA (0.49) KMT2AMAPTLMNAKDM4EHSP90AA1
SCHEMBL28841141 0.82 KMT2A (0.51) KMT2AMAPTLMNAKDM4EHSP90AA1
SCHEMBL9249738 0.81 KMT2A (0.52) KMT2AMAPTLMNAKDM4EHSP90AA1
SCHEMBL438314 0.80 MEN1 (0.70) KMT2AMAPTLMNAKDM4EHSP90AA1
SCHEMBL28489704 0.80 KMT2A (0.49) KMT2AMAPTLMNAKDM4EHSP90AA1
SCHEMBL8328530 0.80 LMNA (0.63) KMT2AMAPTLMNAKDM4EHSP90AA1
SCHEMBL6464103 0.77 MAPT (0.44) KMT2AMAPTLMNAKDM4EHSP90AA1
SCHEMBL14811753 0.77 MEN1 (0.64) KMT2AMAPTLMNAKDM4EHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683202-B2 Permanent surface modifiers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-03-23 US disclosed
US-7683202-B2 Permanent surface modifiers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-03-23 US disclosed
US-20080249252-A1 New permanent surface modifiers PICCINELLI PIERO 2008-10-09 US disclosed
US-20080249252-A1 New permanent surface modifiers PICCINELLI PIERO 2008-10-09 US disclosed
US-7408077-B2 Permanent surface modifiers CIBA SPECIALTY CHEMICALS CORP. (US) 2008-08-05 US disclosed
US-7408077-B2 Permanent surface modifiers CIBA SPECIALTY CHEMICALS CORP. (US) 2008-08-05 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-20080249252-A1 New permanent surface modifiers SGMS1, SGMS2, PLIN5 KMT2A 1186/4885MAPT 1142/4885LMNA 1627/4885

“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.