SCHEMBL431093

SCHEMBL431093

CCc1ccc(-c2ccc(Cl)c(F)c2F)cc1C1=C(O)[C@H]2[C@H]3CC[C@H](CC3)[C@H]2C1=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 4/20 0.34
CYP11B1 P15538 3/20 0.31
CYP11B2 P19099 3/20 0.31
SCN9A Q15858 1/20 0.30
ACACB O00763 1/20 0.30
ACACA Q13085 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
SCHEMBL432211 0.96 KLKB1 (0.32) KLKB1
SCHEMBL432217 0.93 ACACB (0.31) CYP11B1CYP11B2ACACBACACA
SCHEMBL432578 0.93 CYP11B1 (0.30) CYP11B1CYP11B2
SCHEMBL430206 0.89
SCHEMBL13064915 0.89
SCHEMBL431090 0.89 ACACB (0.30) ACACBACACA
SCHEMBL431058 0.87 ACACB (0.40) CYP11B1CYP11B2SCN9AACACBACACA
SCHEMBL432196 0.86 S1PR1 (0.34) CYP11B1CYP11B2ACACBACACA
SCHEMBL430119 0.85 KLKB1 (0.34) KLKB1CYP11B1CYP11B2
SCHEMBL431302 0.85 EDNRB (0.42)

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 KLKB1 4854/4885CYP11B1 745/4885CYP11B2 992/4885

“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.