SCHEMBL10244005

SCHEMBL10244005

CCc1ccc(-c2ccc(Cl)cc2)cc1/C1=C(\O)C[C@H]2CC[C@H](CC2)[C@H](C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.34
ACACA Q13085 4/20 0.34
JAK2 O60674 1/20 0.31
NTRK1 P04629 1/20 0.31
MET P08581 1/20 0.31
FGFR1 P11362 1/20 0.31
PRKACA P17612 1/20 0.31
KDR P35968 1/20 0.31
MAP2K2 P36507 1/20 0.31
FLT3 P36888 1/20 0.31
GSK3B P49841 1/20 0.31
MAP2K1 Q02750 1/20 0.31
MST1R Q04912 1/20 0.31
NTRK3 Q16288 1/20 0.31
NTRK2 Q16620 1/20 0.31
CAMK1D Q8IU85 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31

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
SCHEMBL466150 0.88 HPD (0.31)
SCHEMBL468817 0.88 ACACB (0.37) ACACBACACA
SCHEMBL468863 0.87 PDK1 (0.33)
SCHEMBL468935 0.85 ACACB (0.36) ACACBACACAJAK2NTRK1MET
SCHEMBL468934 0.85 ACACB (0.33) ACACBACACA
SCHEMBL10245073 0.85 CNR2 (0.32)
SCHEMBL10244270 0.81 ACACB (0.33) ACACBACACA
SCHEMBL468933 0.80 ACACB (0.34) ACACBACACAJAK2NTRK1MET
SCHEMBL468876 0.80 ACACB (0.34) ACACBACACAJAK2NTRK1MET
SCHEMBL471734 0.78 ACACB (0.34) ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 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 (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-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ACACB 889/4885ACACA 1264/4885JAK2 3390/4885

“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.