SCHEMBL2138504

SCHEMBL2138504

Nc1ccc(N)c(COC(=O)/C=C/c2ccc(OC(=O)c3ccc(OCCCC(F)(F)C(F)(F)F)cc3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MET P08581 5/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
PPARA Q07869 3/20 0.35
PRSS1 P07477 1/20 0.34
ACR P10323 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL28648623 1.00 MAPT (0.39) MAPTKDM4EMETCA12CA1
SCHEMBL28664683 0.95 MAPT (0.38) MAPTKDM4EMETCA12CA1
SCHEMBL2140710 0.95 MAPT (0.38) MAPTKDM4EMETCA12CA1
SCHEMBL28657773 0.94 MAPT (0.38) MAPTKDM4EMETCA12CA1
SCHEMBL2138428 0.94 MAPT (0.38) MAPTKDM4EMETCA12CA1
SCHEMBL2138342 0.94 MET (0.39) MAPTKDM4EMETCA12CA1
SCHEMBL679305 0.93 MAPT (0.39) MAPTKDM4EMETCA12CA1
SCHEMBL1563301 0.90 ABCG2 (0.39) MAPTKDM4EMETCA12CA1
SCHEMBL28648642 0.90 ABCG2 (0.39) MAPTKDM4EMETCA12CA1
SCHEMBL15772156 0.90 MET (0.38) MAPTKDM4EMETCA12CA1

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 MAPT 159/4885KDM4E 2018/4885MET 4377/4885

“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.