SCHEMBL2759740

SCHEMBL2759740

COC1=C(c2cc(C)ccc2C)C(=O)NC12CCN(OC)CC2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 12/20 0.39
▸ ACACA Q13085 12/20 0.39
▸ TP53 P04637 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MAPT P10636 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ THRB P10828 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
SCHEMBL2759747 0.88 ACACB (0.39) ACACBACACAKMT2AMAPTTHRB
SCHEMBL2759751 0.88 ACACB (0.38) ACACBACACAKMT2ATHRB
SCHEMBL16581663 0.88 ACACB (0.40) ACACBACACAKMT2ATHRB
SCHEMBL13366861 0.88 ACACB (0.38) ACACBACACAKMT2AMAPTTHRB
SCHEMBL30204267 0.88 ACACB (0.40) ACACBACACAKMT2ATHRB
SCHEMBL248519 0.87 ACACB (0.37) ACACBACACAKMT2AMAPTTHRB
SCHEMBL2759801 0.87 ACACB (0.39) ACACBACACAKMT2AMAPT
SCHEMBL2759767 0.86 ACACB (0.36) ACACBACACAKMT2AMAPT
SCHEMBL2759744 0.86 ACACB (0.35) ACACBACACAMAPT
SCHEMBL249181 0.86 ACACB (0.53) ACACBACACAKMT2ABRD4THRB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352375-B1 HERBICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2015-03-25 — — EP disclosed
US-8722578-B2 Spiroheterocyclic pyrrolidinedione herbicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2014-05-13 — — US disclosed
US-8722578-B2 Spiroheterocyclic pyrrolidinedione herbicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2014-05-13 — — US disclosed
US-20120004105-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION LLC (US) 2012-01-05 — — US disclosed
US-20120004105-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION LLC (US) 2012-01-05 — — US disclosed
WO-2010052161-A2 HERBICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2010-05-14 — — 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-20120004105-A1 HERBICIDAL COMPOSITIONS DDT, CAT, HDHD5 ACACB 704/4885ACACA 1250/4885TP53 4109/4885

“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.

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