SCHEMBL12458682

SCHEMBL12458682

CCC(C)(C)CCC(C)(C)NC(=N)N

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL19636411 0.81
SCHEMBL21350404 0.80
SCHEMBL14423070 0.80
SCHEMBL20365542 0.80 ALDH1A1 (0.47) ALDH1A1
SCHEMBL21743333 0.80
SCHEMBL17030140 0.76
SCHEMBL19784328 0.75 SPHK2 (0.36) ALDH1A1
SCHEMBL18520505 0.72
SCHEMBL14404633 0.72
SCHEMBL25015251 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180014541-A1 FUNGICIDAL ACTIVE COMPOUND COMBINATIONS ARYSTA LIFESCIENCE CORPORATION (JP) 2018-01-18 US disclosed
US-9717247-B2 Synergistic fungicidal active combinations BAYER CROPSCIENCE AG (DE) 2017-08-01 US disclosed
EP-2910126-A1 ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL PROPERTIES Bayer CropScience AG (DE) 2015-08-26 EP disclosed
EP-2796043-A1 Synergetic fungicide substance combinations Bayer CropScience AG (DE) 2014-10-29 EP disclosed
WO-2014170354-A1 INSECTICIDAL AND/OR FUNGICIDAL SYNERGISTIC COMBINATIONS OF PHTHALDIAMIDE DERIVATIVES AND A FURTHER ACTIVE INGREDIENT BAYER CROPSCIENCE AG (DE) 2014-10-23 WO disclosed
US-20130274100-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-17 US disclosed
EP-2356905-A1 Synergetic fungicide substance combinations Bayer Cropscience AG (DE) 2011-08-17 EP disclosed
EP-2272368-A1 Agent combinations Bayer CropScience AG (DE) 2011-01-12 EP disclosed
EP-2272369-A1 Agent combinations Bayer CropScience AG (DE) 2011-01-12 EP disclosed
EP-2260709-A1 Agent combinations Bayer CropScience AG (DE) 2010-12-15 EP disclosed
EP-2258196-A2 Combination of active agents Bayer CropScience AG (DE) 2010-12-08 EP disclosed
EP-2255653-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 EP disclosed
EP-2255651-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 EP disclosed
EP-2255650-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 EP disclosed
EP-2255654-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 EP disclosed
EP-2253212-A1 Agent combinations Bayer CropScience AG (DE) 2010-11-24 EP disclosed
EP-2220936-A2 Synergistic fungicidal combinations Bayer CropScience AG (DE) 2010-08-25 EP disclosed
WO-2007110173-A2 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2007-10-04 WO disclosed
WO-2007104437-A1 FUNGICIDAL ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2007-09-20 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 (2 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-20180014541-A1 FUNGICIDAL ACTIVE COMPOUND COMBINATIONS CYP4X1, ERG28, CASP1 ALDH1A1 3029/4885
US-20130274100-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 ALDH1A1 219/4885

“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.