SCHEMBL4387972

SCHEMBL4387972

CC1(C)CC(SCc2ccccc2OC(F)F)=NO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
KCNH2 Q12809 4/20 0.33
SLC6A3 Q01959 3/20 0.33
CYP2D6 P10635 2/20 0.33
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
PLA2G1B P04054 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
ADORA2A P29274 1/20 0.32

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
SCHEMBL3155303 0.83 OPRM1 (0.36) OPRM1OPRD1SLC6A2SLC6A4KCNH2
SCHEMBL4389539 0.78 SMN1; SMN2 (0.41) CYP2D6HPGDMEN1CYP1A2CYP3A4
SCHEMBL4393093 0.74 NTRK1 (0.34) SLC6A2
SCHEMBL30763451 0.73 ALDH1A1 (0.47) CYP2D6HPGDMEN1CYP1A2CYP3A4
SCHEMBL28702630 0.71 HTT (0.42) HPGDKMT2AHTTSMN1; SMN2
SCHEMBL14562358 0.69 TNF (0.43) TNFSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL14364509 0.68 OPRM1 (0.32) TNFOPRM1OPRD1BACE1
SCHEMBL28455188 0.68
SCHEMBL28685310 0.68 KDM1A (0.32)
SCHEMBL22858501 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799657-B1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2009-12-02 EP disclosed
US-7465805-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2008-12-16 US disclosed
US-20080051287-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2008-02-28 US disclosed
EP-1799657-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2007-06-27 EP disclosed
WO-2006037945-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-04-13 WO 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-20080051287-A1 Isoxazoline Derivatives and Their Use as Herbicides CYP4X1, CYP3A7, CYP4Z1 TNF 4509/4885OPRM1 2731/4885OPRD1 2644/4885

“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.