SCHEMBL18242099

SCHEMBL18242099

CC(C)([O])c1ccccc1C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 9/20 0.34
▸ PDK2 Q15119 9/20 0.34
▸ PDK3 Q15120 9/20 0.34
▸ PDK4 Q16654 9/20 0.34
▸ ELANE P08246 2/20 0.33
▸ HSD11B1 P28845 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL18243579 0.94 PDK1 (0.33) PDK1PDK2PDK3PDK4HSD11B1
SCHEMBL18241850 0.87 PDK1 (0.36) PDK1PDK2PDK3PDK4HSD11B1
SCHEMBL28256785 0.84 ELANE (0.36) ELANEHSD11B1ALDH1A1TSHRTDP1
SCHEMBL18243847 0.82 ELANE (0.33) ELANE
SCHEMBL18378424 0.79 MEN1 (0.31) PDK1PDK2PDK3PDK4TSHR
SCHEMBL18242103 0.78 MEN1 (0.42) HSD11B1ALDH1A1TSHRTDP1MEN1
SCHEMBL8846995 0.77 MAPT (0.35) ELANEALDH1A1TSHRTDP1
SCHEMBL18377950 0.76 CA2 (0.30) —
SCHEMBL28730692 0.75 LMNA (0.39) ELANEALDH1A1TSHRTDP1
SCHEMBL6003031 0.74 ELANE (0.35) ELANE

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 PDK1 1816/4885PDK2 494/4885PDK3 718/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 PDK1 1816/4885PDK2 494/4885PDK3 718/4885

“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.

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