SCHEMBL3245958

SCHEMBL3245958

CCCCCC1C(=O)CCC1(CCC)CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ POLB P06746 1/20 0.33
▸ FASN P49327 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ PTGER3 P43115 1/20 0.32
▸ PTGER2 P43116 1/20 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
SCHEMBL25290831 0.90 PRKCA (0.37) PRKCAALOX5POLBFASNCYP1A2
SCHEMBL234408 0.81 PRKCA (0.37) PRKCAALOX5POLBFASNCYP1A2
SCHEMBL2240463 0.81 PRKCA (0.37) PRKCAALOX5POLBFASNCYP1A2
SCHEMBL15552073 0.75 PRKCA (0.40) PRKCAALOX5POLBFASNCYP1A2
SCHEMBL273056 0.74 PRKCA (0.40) PRKCAALOX5POLBFASNCYP1A2
SCHEMBL6700468 0.72 PRKCA (0.35) PRKCAPOLBCYP1A2
SCHEMBL10385584 0.72 PRKCA (0.41) PRKCACYP1A2
SCHEMBL20237290 0.70 CYP1A2 (0.35) PRKCACYP1A2
SCHEMBL7604302 0.69 PRKCA (0.36) PRKCAPOLBCYP1A2
SCHEMBL9427415 0.67 ALOX5 (0.46) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234226-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL-SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-09-16 — — US disclosed
WO-2010017926-A2 HERBICIDAL COMBINATION COMPRISING DIMETHOXY-TRIAZINYL-SUBSTITUTED DIFLUOROMETHANE SULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-02-18 — — 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 (1 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-20100234226-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL-SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES DDT, CBR3, AS3MT PRKCA 3640/4885ALOX5 4641/4885POLB 3441/4885

“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.

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