SCHEMBL432701

SCHEMBL432701

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.33
ACACA Q13085 4/20 0.33
MAPT P10636 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
SCHEMBL432181 0.90 EDNRB (0.32) ACACBACACAEDNRBEDNRA
SCHEMBL432195 0.86 EDNRB (0.34) ACACBACACAEDNRBEDNRA
SCHEMBL13065648 0.84 ACACB (0.34) ACACBACACAEDNRBEDNRA
SCHEMBL13065046 0.84 ACACB (0.34) ACACBACACAEDNRBEDNRA
SCHEMBL431046 0.82 EDNRB (0.38) ACACBACACAEDNRBEDNRA
SCHEMBL431036 0.81 ACACB (0.35) ACACBACACAEDNRBEDNRA
SCHEMBL432716 0.78 SMN1; SMN2 (0.37) ACACBACACAEDNRBEDNRA
SCHEMBL432710 0.78 SMN1; SMN2 (0.37) ACACBACACAEDNRBEDNRA
SCHEMBL431272 0.78 SMN1; SMN2 (0.37) ACACBACACAEDNRBEDNRA
SCHEMBL430149 0.78 SMN1; SMN2 (0.37) ACACBACACAEDNRBEDNRA

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 1264/4885MAPT 3903/4885

“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.