SCHEMBL6803393

SCHEMBL6803393

CCc1cc(-c2ccncc2)cc(CC)c1C(C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 4/20 0.44
CCNC P24863 3/20 0.39
CDK8 P49336 3/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
CDC7 O00311 1/20 0.38
CTSA P10619 3/20 0.38
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CYP17A1 P05093 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
IKBKE Q14164 1/20 0.35
PKMYT1 Q99640 1/20 0.35
ROCK2 O75116 1/20 0.35
RPS6KA5 O75582 1/20 0.35

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
SCHEMBL7620819 0.85 PTGS1 (0.45) RXRARXRBMAPT
SCHEMBL7619226 0.80 AKR1C3 (0.40) CCNCCDK8AKR1C3AKR1C2CDC7
SCHEMBL3151639 0.73 SRC (0.41) AKR1C3AKR1C2MAPK1
SCHEMBL6803401 0.68 ERN1 (0.39) FTOCDC7MMP13CYP17A1CHUK
SCHEMBL4437714 0.68 CHUK (0.59) CCNCCDK8CDC7IKBKBCHUK
SCHEMBL61963 0.66 AAK1 (0.53) LMNAMAPTCYP17A1CHUKAURKB
Alcohol SCHEMBL28880702 0.65 MAPT (0.65) CCNCCDK8LMNAMAPTNOTUM
Acetone SCHEMBL28609082 0.65 MAPT (0.65) CCNCCDK8LMNAMAPTCHUK
Alcohol SCHEMBL28150439 0.65 MAPT (0.65) CCNCCDK8LMNAMAPTNOTUM
Acetone SCHEMBL27959679 0.65 MAPT (0.65) CCNCCDK8LMNAMAPTCHUK

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 FTO 491/4885CCNC 81/4885CDK8 3217/4885

“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.