SCHEMBL11941301

SCHEMBL11941301

CCCCC1(CCC)OCC(C)O1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.32

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
SCHEMBL13180165 0.96 HMOX1 (0.33) HMOX1
SCHEMBL10309206 0.92 HMOX1 (0.34) HMOX1
SCHEMBL16310950 0.89 HMOX1 (0.32) HMOX1
SCHEMBL15158730 0.89 ALDH1A1 (0.36)
SCHEMBL12022240 0.84 HMOX1 (0.33) HMOX1
SCHEMBL11574701 0.80
SCHEMBL1848268 0.80
SCHEMBL2632038 0.79 ACE2 (0.36)
SCHEMBL22971803 0.77
SCHEMBL2621284 0.76 TRPV1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9204640-B2 2-acyloxy-pyrrolin-4-ones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 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-8901038-B2 Biphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2014-12-02 US disclosed
US-8859782-B2 Process for the preparation of 1-H-pyrrolidine-2,4-dione derivatives BAYER CROPSCIENCE AG (DE) 2014-10-14 US disclosed
US-20140302988-A1 1,2,4-Triazolyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-09 US disclosed
US-20140213813-A9 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-31 US disclosed
US-20140057790-A1 2-ACYLOXY-PYRROLIN-4-ONES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-02-27 US disclosed
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
US-8518985-B2 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2013-08-27 US disclosed
US-20120190865-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives BAYER CROPSCIENCE AG (DE) 2012-07-26 US disclosed
US-20110230346-A1 Biphenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-09-22 US disclosed
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2010-12-09 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 (7 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 HMOX1 4011/4885
US-20140213813-A9 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E HMOX1 2960/4885
US-20120190865-A1 Process for the Preparation of 1-H-pyrrolidine-2,4-dione Derivatives DHPS, HPD, DOHH HMOX1 12/4885
US-20140057790-A1 2-ACYLOXY-PYRROLIN-4-ONES ATL3, PLCG2, PLCG1 HMOX1 3996/4885
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E HMOX1 2960/4885
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols PHYKPL, KCNE1, CSNK1E HMOX1 2960/4885
US-20110230346-A1 Biphenyl-Substituted Cyclic Ketoenols KCNE1, KDM4E, PIKFYVE HMOX1 4013/4885

“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.