SCHEMBL18242527

SCHEMBL18242527

CC(C)([O])c1cccc(C(F)(F)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.37
PGK2 P07205 2/20 0.37
ACHE P22303 3/20 0.36
NR1H3 Q13133 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CES2 O00748 1/20 0.32
MGLL Q99685 1/20 0.32
RORC P51449 1/20 0.32
HSD11B1 P28845 2/20 0.32
ELANE P08246 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL18242416 0.94 PGK1 (0.36) PGK1PGK2ACHENR1H3ESR1
SCHEMBL18242446 0.88 PGK1 (0.39) PGK1PGK2ACHENR1H3ESR1
SCHEMBL24473266 0.85 PGK1 (0.41) PGK1PGK2ACHEESR1ESR2
SCHEMBL18243017 0.79 TSHR (0.50) PGK1PGK2CES2MGLLCA1
SCHEMBL18242447 0.79 HSD11B1 (0.34) NR1H3HSD11B1
SCHEMBL21367600 0.79 PGK1 (0.40) PGK1PGK2ESR1ESR2CES2
SCHEMBL18243843 0.76 PGK1 (0.35) PGK1PGK2ACHECES2MGLL
SCHEMBL14339386 0.76 TSHR (0.38) PGK1PGK2CES2MGLLTSHR
SCHEMBL18378424 0.76 MEN1 (0.31) CES2TSHRMAPK1
SCHEMBL18242546 0.75 TSHR (0.44) PGK1PGK2ACHEESR1ESR2

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 PGK1 2952/4885PGK2 2580/4885ACHE 4671/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 PGK1 2952/4885PGK2 2580/4885ACHE 4671/4885

“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.