SCHEMBL432181

SCHEMBL432181

CCc1ccc(-c2ccc(Cl)cc2)cc1C1=C(O)[C@H]2[C@@H]3CC[C@@H](C(=NC)C3)[C@H]2C1=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
ACACB O00763 2/20 0.31
ACACA Q13085 2/20 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
SCHEMBL432701 0.90 ACACB (0.33) EDNRBEDNRAACACBACACA
SCHEMBL432195 0.88 EDNRB (0.34) EDNRBEDNRAACACBACACA
SCHEMBL13065046 0.87 ACACB (0.34) EDNRBEDNRAACACBACACA
SCHEMBL13065648 0.87 ACACB (0.34) EDNRBEDNRAACACBACACA
SCHEMBL431046 0.85 EDNRB (0.38) EDNRBEDNRAACACBACACA
SCHEMBL431036 0.83 ACACB (0.35) EDNRBEDNRAACACBACACA
SCHEMBL432716 0.80 SMN1; SMN2 (0.37) EDNRBEDNRAACACBACACA
SCHEMBL432710 0.80 SMN1; SMN2 (0.37) EDNRBEDNRAACACBACACA
SCHEMBL430149 0.80 SMN1; SMN2 (0.37) EDNRBEDNRAACACBACACA
SCHEMBL431272 0.80 SMN1; SMN2 (0.37) 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 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 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.