SCHEMBL981173

SCHEMBL981173

O=C(c1cc(Br)c(Cl)c(Br)c1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.43
ACHE P22303 3/20 0.38
NOTUM Q6P988 1/20 0.35
TTR P02766 1/20 0.34
MLYCD O95822 7/20 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
SCHEMBL29234315 0.87 NOTUM (0.41) CES1ACHENOTUM
SCHEMBL978740 0.81 CES1 (0.45) CES1ACHENOTUMTTRMLYCD
SCHEMBL28657362 0.79 CES1 (0.43) CES1ACHETTRMLYCD
SCHEMBL3135053 0.79 GSK3B (0.52) CES1ACHENOTUMTTRMLYCD
SCHEMBL1861601 0.79 CES1 (0.44) CES1ACHENOTUMMLYCD
SCHEMBL113432 0.78 CES1 (0.46) CES1ACHETTRMLYCD
SCHEMBL12097451 0.77 CES1 (0.45) CES1ACHEMLYCD
SCHEMBL2560056 0.76 CES1 (0.48) CES1ACHENOTUMMLYCD
SCHEMBL15410060 0.76 HTT (0.48) TTR
SCHEMBL44147 0.76 TPMT (0.52) CES1ACHEMLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318757-B2 Substituted isoxazoline compound and pest control agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-20110009438-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-01-13 US disclosed
EP-2199287-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2010-06-23 EP 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-20110009438-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT CCR10, H1-10, CCL11 CES1 1243/4885ACHE 347/4885NOTUM 3342/4885

“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.