SCHEMBL431046

SCHEMBL431046

CCc1ccc(-c2ccc(Cl)cc2)cc1C1=C(O)[C@H]2[C@H]3CC[C@H](CC3)[C@H]2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 3/20 0.38
EDNRA P25101 3/20 0.38
ACACB O00763 6/20 0.36
ACACA Q13085 6/20 0.36
GSK3B P49841 2/20 0.34
JAK2 O60674 1/20 0.34
NTRK1 P04629 1/20 0.34
MET P08581 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 0.34
KDR P35968 1/20 0.34
MAP2K2 P36507 1/20 0.34
FLT3 P36888 1/20 0.34
MAP2K1 Q02750 1/20 0.34
MST1R Q04912 1/20 0.34
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34
CAMK1D Q8IU85 1/20 0.34
ALOX5 P09917 1/20 0.32
HSD17B1 P14061 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
SCHEMBL431036 0.95 ACACB (0.35) EDNRBEDNRAACACBACACAGSK3B
SCHEMBL432196 0.89 S1PR1 (0.34) EDNRBEDNRAACACBACACA
SCHEMBL431302 0.89 EDNRB (0.42) EDNRBEDNRA
SCHEMBL432195 0.88 EDNRB (0.34) EDNRBEDNRAACACBACACAGSK3B
SCHEMBL430208 0.88 EDNRB (0.34) EDNRBEDNRAHSD17B1HDAC1HDAC2
SCHEMBL430167 0.88 ABL1 (0.37) EDNRBEDNRAACACBACACA
SCHEMBL430119 0.87 KLKB1 (0.34) EDNRBEDNRA
SCHEMBL431058 0.86 ACACB (0.40) ACACBACACA
SCHEMBL432538 0.86 ACACB (0.31) ACACBACACA
SCHEMBL13065648 0.86 ACACB (0.34) EDNRBEDNRAACACBACACA

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 2 patents. 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
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 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-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 EDNRB 4122/4885EDNRA 4159/4885ACACB 889/4885

“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.