SCHEMBL1861601

SCHEMBL1861601

O=C(c1ccc(Cl)c(Br)c1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.44
ACHE P22303 2/20 0.42
PPARD Q03181 1/20 0.40
NOTUM Q6P988 1/20 0.39
MLYCD O95822 6/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL21358311 0.85 MAPT (0.49) CES1ACHEMLYCDTSHRMAPT
SCHEMBL1466166 0.82 TSHR (0.57) CES1ACHETSHRMAPT
SCHEMBL21487137 0.79 CES1 (0.45) CES1ACHENOTUMMLYCD
SCHEMBL8848280 0.79 CES1 (0.45) CES1ACHENOTUMMLYCDMAOB
SCHEMBL14310499 0.79 KCNQ3 (0.46) CES1ACHEMLYCDTSHRMAOB
SCHEMBL3789805 0.79 CES1 (0.45) CES1ACHEMLYCDTSHR
SCHEMBL981173 0.79 CES1 (0.43) CES1ACHENOTUMMLYCD
SCHEMBL20918979 0.78 HPGD (0.51) CES1ACHENOTUMTSHR
SCHEMBL2797872 0.78 TAS1R3 (0.46) CES1ACHEPPARDMLYCDTSHR
SCHEMBL112432 0.76 TSHR (0.65) TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242283-B2 Isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-08-14 US disclosed
US-20110172414-A1 ISOXAZOLINE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-07-14 US disclosed
US-7947715-B2 Isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-05-24 US disclosed
US-20090156643-A1 Substituted isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-06-18 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-20110172414-A1 ISOXAZOLINE COMPOUND AND PESTICIDE HCRTR1, HAX1, CHRM1 CES1 360/4885ACHE 113/4885PPARD 3840/4885
US-20090156643-A1 Substituted isoxazoline compound and pesticide HCRTR1, CBR1, CHRM1 CES1 203/4885ACHE 79/4885PPARD 3763/4885

“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.