SCHEMBL20108982

SCHEMBL20108982

COc1c(C=O)cccc1OC(C)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
SRC P12931 1/20 0.48
TLR2 O60603 1/20 0.47
ERN1 O75460 1/20 0.47
TLR1 Q15399 1/20 0.47
TLR6 Q9Y2C9 1/20 0.47
NFE2L2 Q16236 7/20 0.44
CYP1A2 P05177 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PRMT1 Q99873 1/20 0.41
MAOB P27338 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A1 P04798 2/20 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
SCHEMBL18112650 0.89 CA1 (0.53) CA1CA2SRCTLR2ERN1
O-Veratraldehyde SCHEMBL319070 0.81 SRC (0.67) CA1CA2SRCTLR2ERN1
O-Veratraldehyde SCHEMBL28289918 0.81 SRC (0.67) CA1CA2SRCTLR2ERN1
O-Veratraldehyde SCHEMBL29923149 0.81 SRC (0.67) CA1CA2SRCTLR2ERN1
SCHEMBL13422485 0.80 CA1 (0.47) CA1CA2SRCTLR2ERN1
SCHEMBL28614351 0.79 SRC (0.56) CA1CA2SRCTLR2ERN1
SCHEMBL22592562 0.79 ERN1 (0.41) CA1CA2SRCTLR2ERN1
SCHEMBL20108981 0.79 ERN1 (0.62) CA1CA2SRCTLR2ERN1
SCHEMBL3581845 0.78 CA1 (0.49) CA1CA2SRCTLR2ERN1
SCHEMBL3251151 0.77 CA1 (0.51) CA1CA2SRCTLR2ERN1

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 CA1 4883/4885CA2 4784/4885SRC 2227/4885

“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.