SCHEMBL811797

SCHEMBL811797

CC1CC2CCCCC2CN1C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HSD11B1 P28845 1/20 0.30
GAA P10253 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
SCHEMBL15222053 1.00 ALDH1A1 (0.32) ALDH1A1HSD11B1GAA
SCHEMBL20351172 0.95
SCHEMBL25845830 0.91 ALDH1A1 (0.38) ALDH1A1GAA
SCHEMBL20351180 0.90
SCHEMBL24112895 0.88 ALDH1A1 (0.36) ALDH1A1
SCHEMBL25839732 0.86 ALDH1A1 (0.32) ALDH1A1
SCHEMBL20730208 0.84 CYP2D6 (0.31) ALDH1A1
SCHEMBL10147272 0.80
SCHEMBL9980140 0.80
SCHEMBL14898966 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 155 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406216-B1 HALOGENALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS BAYER IP GMBH (DE) 2017-04-19 EP disclosed
EP-3153503-A1 INTERMEDIATES FOR HALOGENOALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS Bayer Intellectual Property GmbH (DE) 2017-04-12 EP disclosed
EP-1962599-B1 INSECTICIDE COMPOUNDS WITH IMPROVED EFFECT BAYER IP GMBH (DE) 2016-03-16 EP disclosed
US-9198432-B2 1,2,4-triazolyl-substituted ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US disclosed
US-9198432-B2 1,2,4-triazolyl-substituted ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US disclosed
US-9045390-B2 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-9045390-B2 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-8901038-B2 Biphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2014-12-02 US disclosed
US-8901038-B2 Biphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2014-12-02 US disclosed
US-20140302988-A1 1,2,4-Triazolyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-09 US disclosed
WO-2007096058-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2007-08-30 WO disclosed
US-20070203101-A1 Pyrazolyl-substituted heterocycles and their use as phytosanitary products FISCHER REINER 2007-08-30 US disclosed
US-20070203101-A1 Pyrazolyl-substituted heterocycles and their use as phytosanitary products FISCHER REINER 2007-08-30 US disclosed
WO-2007068428-A2 INSECTICIDAL COMPOSITIONS CONTAINING PHENYL-SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2007-06-21 WO disclosed
WO-2007068427-A2 HERBICIDAL COMPOSITIONS HAVING IMPROVED EFFECT BAYER CROPSCIENCE AG (DE) 2007-06-21 WO disclosed
US-7230116-B2 Pyrazolyl-substituted heterocycles and their use as phytosanitary products BAYER CROPSCIENCE, AG (DE) 2007-06-12 US disclosed
US-7230116-B2 Pyrazolyl-substituted heterocycles and their use as phytosanitary products BAYER CROPSCIENCE, AG (DE) 2007-06-12 US disclosed
EP-1440066-B1 PYRAZOLYL-SUBSTITUTED HETEROCYCLES AND THEIR USE AS PHYTOSANITARY PRODUCTS BAYER CROPSCIENCE AG (DE) 2007-03-07 EP disclosed
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-01-18 US disclosed
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-01-18 US 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-20140302988-A1 1,2,4-Triazolyl-Substituted Ketoenols PIKFYVE, PHYKPL, KCNE1 ALDH1A1 3479/4885HSD11B1 1619/4885GAA 540/4885
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols CYP4X1, KDM4E, KCNE1 ALDH1A1 2306/4885HSD11B1 976/4885GAA 1055/4885
US-20070203101-A1 Pyrazolyl-substituted heterocycles and their use as phytosanitary products DDT, HPD, CYP8B1 ALDH1A1 2320/4885HSD11B1 503/4885GAA 1510/4885

“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.