SCHEMBL2135997

SCHEMBL2135997

COc1cc(C(=O)Oc2ccc(/C=C/C(=O)OCCc3ccc(N)cc3N)cc2)ccc1OC(F)(F)C(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.42
ALOX5 P09917 3/20 0.42
TTR P02766 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
APP P05067 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
TNFRSF1A P19438 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL1564277 0.93 MET (0.44) METALOX5TTRLMNAMAPT
SCHEMBL1564228 0.89 MET (0.48) METALOX5TTRAPPCA12
SCHEMBL3629059 0.89 MET (0.48) METALOX5TTRAPPCA12
SCHEMBL1565264 0.89 ALOX5 (0.45) METALOX5TTRLMNAMAPT
SCHEMBL2137177 0.89 MET (0.37) METALOX5LMNAMAPTAPP
SCHEMBL679370 0.89 MET (0.37) METALOX5LMNAMAPTAPP
SCHEMBL2139564 0.88 MET (0.46) METALOX5TTRLMNAMAPT
SCHEMBL1565064 0.88 MET (0.42) METALOX5TTRLMNAMAPT
SCHEMBL1563983 0.87 MET (0.42) METALOX5TTRLMNAMAPT
SCHEMBL2142251 0.87 MET (0.42) METALOX5TTRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2011-03-17 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-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS PARG, PARN, PUF60 MET 4377/4885ALOX5 2934/4885TTR 3725/4885

“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.