SCHEMBL2067640

SCHEMBL2067640

C=CCSC(=C)SCC=C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.44
ALOX5 P09917 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.33
TERT O14746 1/20 0.31
MDM4 O15151 1/20 0.31
TP53 P04637 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
SLC25A21 Q9BQT8 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
SCHEMBL5862157 0.78
SCHEMBL4239372 0.76 TRPA1 (0.47) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL5862159 0.75
SCHEMBL392205 0.75
SCHEMBL958738 0.71
SCHEMBL5796214 0.71 ALDH1A1 (0.42) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL19348074 0.71 TRPA1 (0.42) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL369882 0.71 TRPA1 (0.42) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL1457345 0.71 TRPA1 (0.42) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL5320924 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977332-B2 Insecticidal N-(heteroarylalkyl)alkanediamine derivatives FMC CORPORATION (US) 2011-07-12 US disclosed
US-20110065710-A1 Insecticidal N-(Heteroarylalkyl)Alkanediamine Derivatives FMC CORPORATION 2011-03-17 US disclosed
EP-1689231-A4 INSECTICIDAL N-(HETEROARYLALKYL) ALKANEDIAMINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-11-14 EP disclosed
EP-1689231-A2 INSECTICIDAL N-(HETEROARYLALKYL) ALKANEDIAMINE DERIVATIVES FMC CORPORATION (US) 2006-08-16 EP disclosed
WO-2005055715-A2 INSECTICIDAL N-(HETEROARYLALKYL) ALKANEDIAMINE DERIVATIVES FMC CORPORATION (US) 2005-06-23 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-20110065710-A1 Insecticidal N-(Heteroarylalkyl)Alkanediamine Derivatives DDT, RABL6, ACHE TRPA1 1197/4885ALDH1A1 813/4885CYP3A4 762/4885

“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.