SCHEMBL6803401

SCHEMBL6803401

CCc1cc(-c2ccncc2)ccc1C(CC)(C(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.39
HSD17B1 P14061 2/20 0.38
CHUK O15111 1/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
QDPR P09417 1/20 0.38
FTO Q9C0B1 1/20 0.37
GSK3B P49841 2/20 0.36
AAK1 Q2M2I8 1/20 0.36
P2RX7 Q99572 1/20 0.36
CDC7 O00311 2/20 0.36
CYP17A1 P05093 2/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
PPID Q08752 1/20 0.36
ABL1 P00519 2/20 0.36
ABHD6 Q9BV23 1/20 0.36

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
SCHEMBL7620826 0.86 DCLRE1A (0.44) HSD17B1
SCHEMBL1773405 0.78 KDM4E (0.43) P2RX7ABL1
SCHEMBL6806145 0.74 MAPT (0.38)
SCHEMBL9052781 0.74 ALDH1A1 (0.41)
SCHEMBL1773199 0.73 PTGDR2 (0.39)
SCHEMBL1772317 0.73 RIPK1 (0.43)
SCHEMBL11489737 0.72 PGR (0.39) HSD17B1GSK3BABL1
SCHEMBL27496397 0.72 NAPRT (0.40) SLC22A12
SCHEMBL4437714 0.71 CHUK (0.59) HSD17B1CHUKGSK3BCDC7ROCK2
SCHEMBL9052682 0.71 CYP2C9 (0.45)

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-20040198797-A1 Process for the preparation of herbicidal derivatives MAETZKE THOMAS (CH) 2004-10-07 US 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
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 ERN1 1065/4885HSD17B1 1393/4885CHUK 2446/4885

“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.