SCHEMBL2138389

SCHEMBL2138389

COc1cc(C(=O)Oc2ccc(/C=C/C(=O)OCCc3cc(N)cc(N)c3)cc2)ccc1OCCCC(F)(F)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.45
TTR P02766 2/20 0.45
APP P05067 1/20 0.43
FDPS P14324 2/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
ALOX5 P09917 1/20 0.41
EGFR P00533 1/20 0.41
CSK P41240 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
SCHEMBL1565168 0.94 MET (0.46) METTTRAPPFDPSCA12
SCHEMBL1565022 0.92 MET (0.45) METTTRAPPFDPSCA12
SCHEMBL1563937 0.90 MET (0.47) METTTRAPPFDPSCA12
SCHEMBL2136385 0.89 CA12 (0.43) METAPPCA12CA1CA4
SCHEMBL2141657 0.89 CA12 (0.43) METAPPCA12CA1CA4
SCHEMBL1565184 0.89 MET (0.51) METTTRAPPCA12CA1
SCHEMBL679466 0.89 FDPS (0.44) METAPPFDPSCA12CA1
SCHEMBL1564729 0.89 MET (0.48) METTTRAPPCA12CA4
SCHEMBL2142251 0.88 MET (0.42) METTTRAPPFDPSCA12
SCHEMBL2139564 0.86 MET (0.46) METTTRAPPCA12CA4

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 4377/4885TTR 3725/4885APP 3392/4885

“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.