SCHEMBL23031071

SCHEMBL23031071

O=C(Cl)C(c1cccc(C(F)(F)F)c1)C(O)Cl

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.59
▸ PNMT P11086 1/20 0.55
▸ ACP3 P15309 2/20 0.48
▸ EPHX1 P07099 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ PPARG P37231 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1133391 0.83 CES2 (0.54) CES2PNMTACP3EPHX1IDO1
SCHEMBL15019058 0.81 CES2 (0.55) CES2PNMTACP3EPHX1IDO1
SCHEMBL22193351 0.79 PNMT (0.61) CES2PNMTACP3GRIN2BIDO1
SCHEMBL29099863 0.79 CES2 (0.53) CES2PNMTACP3EPHX1IDO1
SCHEMBL18952845 0.77 CES2 (0.51) CES2PNMTACP3EPHX1IDO1
SCHEMBL4077713 0.77 CES2 (0.54) CES2PNMTACP3EPHX1IDO1
Hydrochloric Acid SCHEMBL28079203 0.76 CES2 (0.50) CES2PNMTACP3EPHX1IDO1
SCHEMBL21343262 0.76 CES2 (0.50) CES2PNMTACP3EPHX1IDO1
SCHEMBL14161938 0.76 CES2 (0.50) CES2PNMTACP3EPHX1IDO1
SCHEMBL2407521 0.75 CES2 (0.53) CES2PNMTACP3EPHX1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210051958-A1 PROCESS AND INTERMIDIATES FOR THE PREPARATION OF CERTAIN MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2021-02-25 — — 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-20210051958-A1 PROCESS AND INTERMIDIATES FOR THE PREPARATION OF CERTAIN MESOIONIC PESTICIDES SCO2, AOC3, AOC2 CES2 445/4885PNMT 3764/4885ACP3 3023/4885

“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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