SCHEMBL7039726

SCHEMBL7039726

[CH2]CCC(C#N)C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
ANPEP P15144 1/20 0.31
MAPK1 P28482 1/20 0.30
CASP7 P55210 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
SCHEMBL11670845 0.87 CA1 (0.38) CA1CA2SMN1; SMN2ZDHHC7ALDH1A1
SCHEMBL10456812 0.82 CA1 (0.34) CA1CA2SMN1; SMN2ZDHHC7ALDH1A1
SCHEMBL10526563 0.82 CA1 (0.42) CA1CA2SMN1; SMN2ZDHHC7ALDH1A1
SCHEMBL8685379 0.80 TSHR (0.40) CA1CA2SMN1; SMN2ZDHHC7ALDH1A1
SCHEMBL7043088 0.78 CA1 (0.36) CA1CA2SMN1; SMN2ZDHHC7ANPEP
SCHEMBL8684831 0.78 CA2 (0.53) CA1CA2ZDHHC7ALDH1A1TSHR
SCHEMBL7043093 0.78 CA1 (0.36) CA1CA2SMN1; SMN2ZDHHC7ANPEP
SCHEMBL8685566 0.78 TSHR (0.44) CA1CA2ZDHHC7ALDH1A1TSHR
SCHEMBL15268831 0.77
SCHEMBL16866506 0.77

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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 EP 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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 CA1 1699/4885CA2 155/4885SMN1; SMN2 4594/4885

“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.