SCHEMBL6307607

SCHEMBL6307607

CCOC(=O)COC(=O)Cc1c(Cl)cc(C)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6839533 0.92 NLRP3 (0.51) NLRP3SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL1813965 0.81 L3MBTL1 (0.41) NLRP3SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL7669841 0.79 NLRP3 (0.48) NLRP3SMN1; SMN2KDM4ELMNAMAPK1
SCHEMBL3019690 0.78 ALDH1A1 (0.47) SMN1; SMN2KDM4ELMNAMAPTALDH1A1
SCHEMBL13996135 0.77 GAA (0.49) NLRP3KDM4ELMNAMAPTALDH1A1
SCHEMBL1429298 0.76 AKR1B1 (0.55) NLRP3SMN1; SMN2KDM4ELMNAMAPK1
SCHEMBL2167246 0.75 NLRP3 (0.51) NLRP3SMN1; SMN2KDM4ELMNAMAPK1
SCHEMBL5489679 0.75 NLRP3 (0.43) NLRP3SMN1; SMN2KDM4EMAPTALDH1A1
Ammonia Solution, Strong SCHEMBL27532390 0.75 AKR1B1 (0.53) NLRP3SMN1; SMN2KDM4ELMNAMAPK1
SCHEMBL2167805 0.74 KMT2A (0.44) NLRP3SMN1; SMN2KDM4ELMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050164885-A1 Alkyl dihalogenated phenyl-substituted ketoenols useful as pesticides and herbicides BAYER AG (DE) 2005-07-28 US disclosed
US-6858741-B2 Alkyl-dihalogenated phenyl-substituted ketoenols useful as pesticides and herbicides BAYER AKTIENGESELLSCHAFT (DE) 2005-02-22 US disclosed
US-20030199572-A1 Alkyl-dihalogenophenyl-substituted ketoenols LIEB FOLKER (DE) 2003-10-23 US disclosed
US-6380246-B1 FOR COMBATING PESTS AND WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2002-04-30 US disclosed
US-6316486-B1 FOR COMBATING PESTS AND WEED BAYER AKTIENGESELLSCHAFT (DE) 2001-11-13 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-20050164885-A1 Alkyl dihalogenated phenyl-substituted ketoenols useful as pesticides and herbicides DDT, CYP8B1, PAOX NLRP3 2071/4885SMN1; SMN2 4806/4885KDM4E 473/4885
US-20030199572-A1 Alkyl-dihalogenophenyl-substituted ketoenols CYP2E1, CYP8B1, CYP24A1 NLRP3 3794/4885SMN1; SMN2 4464/4885KDM4E 460/4885

“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.