SCHEMBL21630262

SCHEMBL21630262

FC(F)(F)c1ccc(Oc2cc[c]c(C(F)(F)F)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SCN9A Q15858 5/20 0.36
KCNH2 Q12809 2/20 0.36
SCN5A Q14524 1/20 0.36
LIPE Q05469 3/20 0.36
BCHE P06276 1/20 0.35
KIF11 P52732 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
RAB9A P51151 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL21630296 0.86 SCN5A (0.35) LMNAKDM4EMAPTSCN9AKCNH2
SCHEMBL21630306 0.86 KDM4E (0.42) LMNAKDM4ESCN9AKCNH2LIPE
SCHEMBL21630297 0.86 THRB (0.40) LMNAKDM4ETHRBMAPT
SCHEMBL21630260 0.83 KDM4E (0.32) LMNAKDM4EMAPTSCN9A
SCHEMBL21630396 0.79 SCN9A (0.38) LMNAKDM4EMAPTSCN9A
SCHEMBL21630286 0.78 THRB (0.36) THRB
SCHEMBL21630301 0.78 GRM4 (0.35) THRB
SCHEMBL6305049 0.77 SCN9A (0.42) LMNAKDM4ESCN9ALIPEKIF11
SCHEMBL491269 0.74 NFE2L2 (0.34)
SCHEMBL2894791 0.72 MAPT (0.43) LMNAKDM4ETHRBMAPTNPSR1

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-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-30 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-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES IPMK, PIP5K1B, PIP5K1C LMNA 3691/4885KDM4E 608/4885THRB 3794/4885

“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.