SCHEMBL431047

SCHEMBL431047

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

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.37
ACACA Q13085 6/20 0.37
HTR2A P28223 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
SCHEMBL432177 0.79 ACACB (0.35) ACACBACACA
SCHEMBL13065685 0.79 ACACB (0.35) ACACBACACA
SCHEMBL431342 0.77 HTR2A (0.33) HTR2A
SCHEMBL447788 0.77 HTR2A (0.33) HTR2A
SCHEMBL447787 0.77 HTR2A (0.33) HTR2A
SCHEMBL466220 0.76 ACACB (0.36) ACACBACACA
SCHEMBL12115966 0.74 ACACB (0.36) ACACBACACA
SCHEMBL431046 0.74 EDNRB (0.38) ACACBACACA
SCHEMBL18971350 0.74 ACACB (0.36) ACACBACACA
SCHEMBL18971317 0.74 ACACB (0.35) ACACBACACA

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 ACACB 889/4885ACACA 1264/4885HTR2A 1320/4885

“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.