SCHEMBL18242596

SCHEMBL18242596

C[CH]c1ccccc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.38
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 0.32
TNF P01375 1/20 0.31
IL6 P05231 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL18243033 0.94 NFKB1 (0.35) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5410760 0.85 NFKB1 (0.37) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18244322 0.83 NFKB1 (0.35) NFKB1
SCHEMBL28532902 0.82 ALDH1A1 (0.38) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18378454 0.82 NFKB1 (0.34) NFKB1
SCHEMBL28984393 0.81 ALDH1A1 (0.36) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8846995 0.80 MAPT (0.35) NFKB1ALDH1A1
SCHEMBL18242084 0.80
SCHEMBL18242279 0.79 NFKB1 (0.33) NFKB1
SCHEMBL28730692 0.78 LMNA (0.39) NFKB1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 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 (2 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 NFKB1 2955/4885GRIN2D 3891/4885GRIN3B 4024/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 NFKB1 2955/4885GRIN2D 3891/4885GRIN3B 4024/4885

“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.