SCHEMBL979366

SCHEMBL979366

O=C(c1cc(I)cc(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
ACHE P22303 1/20 0.43
MLYCD O95822 2/20 0.43
CES1 P23141 2/20 0.41
TRPV1 Q8NER1 2/20 0.40
NOTUM Q6P988 1/20 0.38
GAA P10253 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
P2RX1 P51575 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL113434 0.86 CES2 (0.67) CES2ACHEMLYCDCES1NOTUM
SCHEMBL14169808 0.85 CES2 (0.50) CES2CES1TRPV1NOTUMGAA
SCHEMBL31133402 0.82 CES2 (0.52) CES2TRPV1NOTUMGAARXRA
SCHEMBL2771570 0.82 CES2 (0.52) CES2TRPV1NOTUMGAARXRA
SCHEMBL5227982 0.81 CES2 (0.50) CES2CES1TRPV1NOTUMGAA
SCHEMBL26473968 0.81 CES2 (0.50) CES2TRPV1NOTUMGAARXRA
SCHEMBL1827001 0.80 CES2 (0.54) CES2ACHEMLYCDCES1NOTUM
SCHEMBL18627180 0.78 CES2 (0.57) CES2TRPV1NOTUMGAARXRA
Water SCHEMBL1836290 0.78 CES2 (0.52) CES2ACHEMLYCDCES1NOTUM
SCHEMBL980627 0.77 CES2 (0.50) CES2ACHEMLYCDCES1GAA

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 7 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-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-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
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 (3 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 CES2 959/4885ACHE 113/4885MLYCD 3392/4885
US-20090156643-A1 Substituted isoxazoline compound and pesticide HCRTR1, CBR1, CHRM1 CES2 867/4885ACHE 79/4885MLYCD 3124/4885
US-20110009438-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT CCR10, H1-10, CCL11 CES2 1100/4885ACHE 347/4885MLYCD 309/4885

“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.