SCHEMBL4134551

SCHEMBL4134551

CC(C)(C)C(=O)OCC(C)(C)C([O])=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.39
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ELANE P08246 3/20 0.31
BTN3A1 O00481 2/20 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
SCHEMBL8830577 0.81 PRKCA (0.39) PRKCACYP4F2CYP4A11POLBGAA
SCHEMBL13686644 0.79 PRKCA (0.38) PRKCACYP4F2CYP4A11POLBGAA
SCHEMBL22956117 0.79 PRKCA (0.38) PRKCACYP4F2CYP4A11POLBGAA
SCHEMBL3481452 0.78 ALDH1A1 (0.42) GAA
SCHEMBL21993236 0.77 PRKCA (0.37) PRKCACYP4F2CYP4A11POLBGAA
SCHEMBL5445288 0.77 PRKCA (0.43) PRKCACYP4F2CYP4A11POLBGAA
SCHEMBL733594 0.77 PRKCA (0.43) PRKCACYP4F2CYP4A11POLBGAA
SCHEMBL12561094 0.77 PRKCA (0.43) PRKCACYP4F2CYP4A11POLBGAA
SCHEMBL15891838 0.77 PRKCA (0.43) PRKCACYP4F2CYP4A11POLBGAA
SCHEMBL9293781 0.75 PRKCA (0.42) PRKCACYP4F2CYP4A11POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962628-B2 Herbicidal 5H-quinoxaline-6-one derivatives detailed description SYNGENTA LIMITED (GB) 2015-02-24 US disclosed
US-20130303370-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2013-11-14 US disclosed
EP-2638019-A1 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2013-09-18 EP disclosed
WO-2012062531-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2012-05-18 WO disclosed
US-20090105212-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-04-23 US disclosed
US-5661153-A FOR TREATING ALLERGIES, ASTHMA, DERMATITIS, GRAFT REJECTIONS JAPAN ENERGY CORPORATION (JP) 1997-08-26 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 (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-20090105212-A1 NOVEL ADENINE COMPOUND XDH, ADORA1, NUDT1 PRKCA 3651/4885CYP4F2 1759/4885CYP4A11 300/4885
US-20130303370-A1 HERBICIDAL COMPOUNDS DDT, CYP4X1, CYP1B1 PRKCA 4537/4885CYP4F2 7/4885CYP4A11 45/4885

“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.