SCHEMBL18242578

SCHEMBL18242578

CC([O])c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.38
NOTUM Q6P988 1/20 0.37
PDE2A O00408 2/20 0.35
EGLN1 Q9GZT9 2/20 0.35
AR P10275 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.32
CACNA1H O95180 3/20 0.32
CACNA1C Q13936 2/20 0.32
CACNA1B Q00975 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
P2RX7 Q99572 1/20 0.32
CACNA1G O43497 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
SCHEMBL20072258 0.84 CES2 (0.38) CES2NOTUMPDE2AEGLN1AR
SCHEMBL18242293 0.83 CES2 (0.38) CES2NOTUMPDE2AEGLN1AR
SCHEMBL20072259 0.78 CES2 (0.34) CES2NOTUMPDE2AEGLN1AR
SCHEMBL18243266 0.78 NOTUM (0.38) CES2NOTUMPDE2AARCACNA1H
SCHEMBL16405335 0.77 RAPGEF4 (0.35) CES2PDE2AEGLN1ARCACNA1H
SCHEMBL4088512 0.77 CES2 (0.39) CES2PDE2AARALDH1A1CACNA1H
SCHEMBL18242534 0.76 P2RX7 (0.48) NOTUMALDH1A1CA1CA2P2RX7
SCHEMBL21139479 0.75 PDE2A (0.41) CES2PDE2AEGLN1ARCACNA1H
SCHEMBL21139491 0.75 PDE2A (0.44) PDE2AALDH1A1P2RX7
SCHEMBL13799252 0.75 PDE2A (0.33) CES2NOTUMPDE2AEGLN1AR

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 CES2 1419/4885NOTUM 2672/4885PDE2A 2289/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 CES2 1419/4885NOTUM 2672/4885PDE2A 2289/4885

“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.