Sugi Predict

Sugi Predict / Compounds / SCHEMBL6807941

SCHEMBL6807941

SCHEMBL6807941

Cc1cc(C)c(C(C(N)=O)C(N)=O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ PRSS1 P07477 4/20 0.39
▸ PRSS2 P07478 4/20 0.39
▸ PRSS3 P35030 4/20 0.39
▸ F2 P00734 3/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ TPMT P51580 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ C1S P09871 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34

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
SCHEMBL28829669 0.84 CYP3A4 (0.42) LMNAALDH1A1CA1CA2HPGD
SCHEMBL28809532 0.82 KDM4E (0.39) KDM4EPRSS1PRSS2PRSS3F2
SCHEMBL14335016 0.82 POLB (0.37) ALDH1A1GAATPMTPARP1HPGD
SCHEMBL14490811 0.81 ALDH1A1 (0.38) KDM4ELMNAALDH1A1GAAMAPT
SCHEMBL6806673 0.81 KDM4E (0.42) KDM4ELMNAALDH1A1GAAMAPT
SCHEMBL7289944 0.80 KDM4E (0.38) KDM4EPRSS1PRSS2PRSS3F2
SCHEMBL21269842 0.79 KDM4E (0.41) KDM4ELMNAALDH1A1MAPTSLC6A2
SCHEMBL21269629 0.79 KDM4E (0.41) KDM4ELMNAALDH1A1SLC6A2SLC6A4
SCHEMBL21268965 0.79 KDM4E (0.41) KDM4ELMNAALDH1A1MAPTSLC6A2
SCHEMBL21269839 0.77 ALDH1A1 (0.35) KDM4ELMNAALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198797-A1 Process for the preparation of herbicidal derivatives MAETZKE THOMAS (CH) 2004-10-07 — — US disclosed
CN-1140528-C Process for preparing herbicidal derivatives �����ɷ� 2004-03-03 — — CN disclosed
EP-1183317-B1 PROCESS FOR THE PREPARATION OF HERBICIDAL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2003-09-17 — — EP disclosed
US-6552187-B1 Cyclization condensation of arylmalonic acid diamides or arylmalonic acid monoamides with hydrazine derivatives forming substituted 3-hydroxy-4-aryl-5-oxopyrazolines; high yield and purity SYNGENTA CROP PROTECTION, INC. 2003-04-22 — — US disclosed
CN-1355806-A Process for preparation of herbicidal derivatives SYNGENA PARTICIPATIONS AG (CH) 2002-06-26 — — CN disclosed
EP-1183317-A2 PROCESS FOR THE PREPARATION OF HERBICIDAL DERIVATIVES Syngenta Participations AG (CH) 2002-03-06 — — EP disclosed
WO-2000078881-A2 PROCESS FOR THE PREPARATION OF HERBICIDAL DERIVATIVES SYGENTA PARTICIPATIONS AG (CH) 2000-12-28 — — 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-20040198797-A1 Process for the preparation of herbicidal derivatives CBR3, CBR1, CYC1 KDM4E 2182/4885PRSS1 4774/4885PRSS2 4714/4885

“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.