SCHEMBL980733

SCHEMBL980733

OCc1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.37
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
KIF11 P52732 1/20 0.35
S1PR1 P21453 2/20 0.33
PDK2 Q15119 1/20 0.33
ADCY8 P40145 1/20 0.31
ADCY1 Q08828 1/20 0.31
PYGL P06737 1/20 0.30
ORAI1 Q96D31 1/20 0.30

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
SCHEMBL978451 0.88 NPC1 (0.38) SSTR5RXRARXRBRXRG
SCHEMBL1858126 0.86 SSTR5 (0.39) SSTR5KIF11PDK2PYGLORAI1
SCHEMBL1610695 0.85 HTT (0.39) SSTR5ADCY8ADCY1
SCHEMBL1609844 0.84 KIF11 (0.38) KIF11
SCHEMBL979360 0.81 KIF11 (0.35) KIF11
SCHEMBL570254 0.81 P2RY14 (0.33)
SCHEMBL980720 0.79 PDE2A (0.33)
SCHEMBL979277 0.79 TACR1 (0.32)
SCHEMBL569654 0.79 AKR1C3 (0.31)
SCHEMBL20341718 0.79 HPGD (0.31)

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 SSTR5 3390/4885RXRA 362/4885RXRB 728/4885

“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.