SCHEMBL468876

SCHEMBL468876

CCc1ccc(-c2ccc(Cl)cc2)cc1/C1=C(\O)C[C@@H]2CCC(CC1=O)C(=O)C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.34
ACACA Q13085 2/20 0.34
HSD17B1 P14061 1/20 0.31
JAK2 O60674 1/20 0.30
NTRK1 P04629 1/20 0.30
MET P08581 1/20 0.30
FGFR1 P11362 1/20 0.30
PRKACA P17612 1/20 0.30
KDR P35968 1/20 0.30
MAP2K2 P36507 1/20 0.30
FLT3 P36888 1/20 0.30
GSK3B P49841 1/20 0.30
MAP2K1 Q02750 1/20 0.30
MST1R Q04912 1/20 0.30
NTRK3 Q16288 1/20 0.30
NTRK2 Q16620 1/20 0.30
CAMK1D Q8IU85 1/20 0.30
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
MAP1LC3B Q9GZQ8 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
SCHEMBL468933 1.00 ACACB (0.34) ACACBACACAHSD17B1JAK2NTRK1
SCHEMBL471734 0.90 ACACB (0.34) ACACBACACA
SCHEMBL468935 0.89 ACACB (0.36) ACACBACACAHSD17B1JAK2NTRK1
SCHEMBL10248508 0.81 ACACB (0.35) ACACBACACAHSD17B1JAK2NTRK1
SCHEMBL10244005 0.80 ACACB (0.34) ACACBACACAJAK2NTRK1MET
SCHEMBL10244074 0.79 PGR (0.36) ACACBACACAHSD17B1
SCHEMBL10245513 0.79 EDNRB (0.38) HSD17B1EDNRBEDNRA
SCHEMBL468934 0.78 ACACB (0.33) ACACBACACA
SCHEMBL10246765 0.78 HSD17B1 (0.34) HSD17B1
SCHEMBL10246594 0.78 ABL1 (0.37) ACACBACACAHSD17B1

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 1264/4885HSD17B1 281/4885

“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.