SCHEMBL2138089

SCHEMBL2138089

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.36
AKR1B10 O60218 2/20 0.36
AKR1B1 P15121 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
APP P05067 1/20 0.34
ESR1 P03372 3/20 0.34
ALOX5 P09917 1/20 0.33

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
SCHEMBL2139867 0.97 CA12 (0.35) METKDM4EMAPTLMNASMN1; SMN2
SCHEMBL2137177 0.95 MET (0.37) METAKR1B10AKR1B1KDM4EMAPT
SCHEMBL679370 0.95 MET (0.37) METAKR1B10AKR1B1KDM4EMAPT
SCHEMBL28658369 0.90 MAPT (0.38) METAKR1B10AKR1B1KDM4EMAPT
SCHEMBL2140734 0.90 MAPT (0.38) METAKR1B10AKR1B1KDM4EMAPT
SCHEMBL2140070 0.89 MET (0.38) METAKR1B10AKR1B1KDM4EMAPT
SCHEMBL1564285 0.88 MET (0.39) METAKR1B10AKR1B1KDM4EMAPT
SCHEMBL3633052 0.88 MET (0.39) METAKR1B10AKR1B1KDM4EMAPT
SCHEMBL1565147 0.87 MET (0.39) METAKR1B10AKR1B1KDM4EMAPT
SCHEMBL2137166 0.87 AKR1B10 (0.41) METAKR1B10AKR1B1KDM4EMAPT

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 4377/4885AKR1B10 2792/4885AKR1B1 3503/4885

“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.