SCHEMBL798798

SCHEMBL798798

C=CC(=O)OCc1cc(C)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.41
IDO1 P14902 2/20 0.39
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ENPP2 Q13822 1/20 0.38
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
MAPT P10636 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
MET P08581 1/20 0.35
TGM2 P21980 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR35 Q9HC97 1/20 0.35
IDH1 O75874 1/20 0.35
MMP1 P03956 1/20 0.34
MMP12 P39900 1/20 0.34
TACR1 P25103 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
SCHEMBL805054 0.90 IDO1 (0.49) MRGPRX4IDO1ALDH1A1PRKCAPRKCD
SCHEMBL22667466 0.85 MET (0.42) ALDH1A1METTACR1
SCHEMBL21244244 0.85 MET (0.42) ALDH1A1METTACR1
SCHEMBL2036674 0.78 PRKCA (0.59) MRGPRX4IDO1HTTALDH1A1PRKCA
SCHEMBL10659178 0.77 MMP12 (0.49) IDO1ALDH1A1TGM2MMP1MMP12
SCHEMBL26163196 0.77 MRGPRX4 (0.41) MRGPRX4IDO1ENPP2PRKCAPRKCD
SCHEMBL27947879 0.77 TPMT (0.47) MRGPRX4METTACR1
SCHEMBL17552787 0.76 MRGPRX4 (0.41) MRGPRX4IDO1ALDH1A1ENPP2PRKCA
SCHEMBL21913948 0.76 TSHR (0.46) ALDH1A1METTGM2
SCHEMBL28032625 0.73 ENPP2 (0.52) ALDH1A1ENPP2TACR1

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-8318656-B2 Production processes and systems, compositions, surfactants, monomer units, metal complexes, phosphate esters, glycols, aqueous film forming foams, and foam stabilizers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-27 US disclosed
US-20120071689-A1 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS, MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS, AND FOAM STABILIZERS E.I. DU PONT DE NEMOURS AND COMPANY CHEMTURA CORPORATION (US) 2012-03-22 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-20120071689-A1 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS, MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS, AND FOAM STABILIZERS FOS, AFF4, AFF1 MRGPRX4 1627/4885IDO1 4859/4885HTT 3004/4885

“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.