SCHEMBL4409218

SCHEMBL4409218

Cn1nnnc1C(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL11928138 0.82 ALDH1A1 (0.34) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL11928363 0.79 ALDH1A1 (0.40) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL11928362 0.79 ALDH1A1 (0.35) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4407342 0.74
SCHEMBL24050935 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4407925 0.74 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4407312 0.74 ALDH1A1 (0.39) ALDH1A1
SCHEMBL4409242 0.73
SCHEMBL4404925 0.73
SCHEMBL4408542 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362137-A1 ZEOLITE BASED AGRICULTURAL COMPOSITION E I DU PONT DE NEMOURS AND COMPANY 2017-12-21 US disclosed
US-20170362137-A1 ZEOLITE BASED AGRICULTURAL COMPOSITION E I DU PONT DE NEMOURS AND COMPANY 2017-12-21 US disclosed
US-20170265459-A1 PROPAGULE COATINGS DU PONT (US) 2017-09-21 US disclosed
US-20170265459-A1 PROPAGULE COATINGS DU PONT (US) 2017-09-21 US disclosed
WO-2015130890-A9 SYNTHETIC SALT COMPLEXES FOR IMPROVEMENT OF PLANT GROWTH AND YIELD E. I. DU PONT DE NEMOURS AND COMPANY (US) 2016-09-29 WO disclosed
WO-2016099919-A1 ZEOLITE BASED AGRICULTURAL COMPOSITION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2016-06-23 WO disclosed
WO-2015187788-A1 PROPAGULE COATINGS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-12-10 WO disclosed
WO-2015134256-A1 COMBINATORIAL LIBRARIES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-09-11 WO disclosed
WO-2015130890-A1 SYNTHETIC SALT COMPLEXES FOR IMPROVEMENT OF PLANT GROWTH AND YIELD E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-09-03 WO disclosed
WO-2015130893-A1 SYNTHETIC OLIGOGLUCOSAMINES FOR IMPROVEMENT OF PLANT GROWTH AND YIELD E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-09-03 WO disclosed
US-8324390-B2 Tetrazole-substituted anthranilamides as pesticides BAYER CROPSCIENCE AG (DE) 2012-12-04 US disclosed
US-8324390-B2 Tetrazole-substituted anthranilamides as pesticides BAYER CROPSCIENCE AG (DE) 2012-12-04 US disclosed
EP-2484676-A2 Tetrazol-substituted anthranilic acid amides as pesticides Bayer CropScience AG (DE) 2012-08-08 EP disclosed
US-20100256195-A1 Tetrazole-substituted anthranilamides as pesticides BAYER CROPSCIENCE AG (DE) 2010-10-07 US disclosed
US-20100256195-A1 Tetrazole-substituted anthranilamides as pesticides BAYER CROPSCIENCE AG (DE) 2010-10-07 US disclosed
WO-2010069502-A2 TETRAZOLE SUBSTITUTED ANTHRANILIC ACID AMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2010-06-24 WO disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 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 (3 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-20100256195-A1 Tetrazole-substituted anthranilamides as pesticides ANTXR2, PNISR, H1-5 ALDH1A1 3779/4885ABCC9 359/4885ABCC8 515/4885
US-20170265459-A1 PROPAGULE COATINGS GUSB, CD44, IPO5 ALDH1A1 839/4885ABCC9 234/4885ABCC8 538/4885
US-20170362137-A1 ZEOLITE BASED AGRICULTURAL COMPOSITION GHDC, SLC39A14, SLC39A11 ALDH1A1 4882/4885ABCC9 565/4885ABCC8 1251/4885

“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.