SCHEMBL20108981

SCHEMBL20108981

CC(F)(F)Oc1cccc(C=O)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.62
TLR2 O60603 1/20 0.62
TLR1 Q15399 1/20 0.62
TLR6 Q9Y2C9 1/20 0.62
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SRC P12931 2/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CA12 O43570 1/20 0.37
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL980265 0.86 ERN1 (0.61) ERN1TLR2TLR1TLR6CA1
SCHEMBL29732882 0.86 ERN1 (0.61) ERN1TLR2TLR1TLR6CA1
SCHEMBL22592562 0.80 ERN1 (0.41) ERN1TLR2TLR1TLR6CA1
SCHEMBL20108982 0.79 CA1 (0.51) ERN1TLR2TLR1TLR6CA1
SCHEMBL929734 0.77 ERN1 (1.00) ERN1TLR2TLR1TLR6CA1
SCHEMBL16004 0.77 ERN1 (1.00) ERN1TLR2TLR1TLR6CA1
SCHEMBL30485148 0.77 ERN1 (1.00) ERN1TLR2TLR1TLR6CA1
SCHEMBL8409471 0.75 ERN1 (0.60) ERN1TLR2TLR1TLR6CA1
SCHEMBL4450612 0.75 ERN1 (0.96) ERN1TLR2TLR1TLR6CA1
SCHEMBL11407272 0.75 ERN1 (0.96) ERN1TLR2TLR1TLR6CA1

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-20180118679-A1 N-Methyl Pyrazoles Prosetta Antiviral ,Inc. 2018-05-03 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-20180118679-A1 N-Methyl Pyrazoles ZC3HAV1, MAVS, NNMT ERN1 497/4885TLR2 3809/4885TLR1 2084/4885

“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.