SCHEMBL3230430

SCHEMBL3230430

CCOC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(C)(C(=O)OCC)C1.COC(=O)c1ccc(CNS(C)(=O)=O)cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.36
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 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
SCHEMBL14655338 0.90 CDK1 (0.38) CDK1GAATHRBTP53
SCHEMBL3221011 0.89
SCHEMBL3261812 0.87
SCHEMBL2373831 0.86 CDK1 (0.38) CDK1GAATP53
SCHEMBL3260819 0.82
Iodosulfuron SCHEMBL2881870 0.81 CDK1 (0.33) CDK1
Iodosulfuron SCHEMBL2875382 0.79 GABRA2 (0.33) CDK1GABRA2GABRB2KDM4ENPC1
SCHEMBL19283719 0.78 CDK1 (0.52) CDK1GAATP53
SCHEMBL116828 0.78 CDK1 (0.52) CDK1GAATP53
SCHEMBL2108886 0.77 CDK1 (0.51) CDK1GAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234227-A1 MICROEMULSION CONCENTRATES BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-20100048516-A1 PENETRATION ENHANCER FOR FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-02-25 US disclosed
US-20080176746-A1 avoids antagonistically reduced activity or overdosage otherwise requiring split applications; by employing an oil suspension concentrate BAYER CROPSCIENCE AG (DE) 2008-07-24 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-20100048516-A1 PENETRATION ENHANCER FOR FUNGICIDES DDT, DCPS, TYMP CDK1 3215/4885GAA 430/4885THRB 1179/4885
US-20080176746-A1 avoids antagonistically reduced activity or overdosage otherwise requiring split applications; by employing an oil suspension concentrate LIPA, MGLL, ABHD6 CDK1 1489/4885GAA 305/4885THRB 2225/4885
US-20100234227-A1 MICROEMULSION CONCENTRATES ADH1C, MGLL, ADH1A CDK1 4068/4885GAA 1835/4885THRB 2372/4885

“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.