SCHEMBL4332187

SCHEMBL4332187

CC(C)[O-].CC(C)[O-].CCCCCCC(C(C)=O)C(=O)[O-].[Al+3]

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.50
GPR84 Q9NQS5 8/20 0.42
FAAH O00519 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
FFAR1 O14842 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39

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
SCHEMBL4335973 1.00 CA1 (0.53) CA1CA2GPR84FAAHACE2
SCHEMBL4617592 0.94 CA2 (0.55) CA1CA2GPR84FFAR1NFKB1
SCHEMBL5969168 0.94 CA2 (0.55) CA1CA2GPR84FFAR1NFKB1
SCHEMBL4617888 0.94 CA2 (0.55) CA1CA2GPR84FFAR1NFKB1
SCHEMBL4336153 0.94 CA2 (0.55) CA1CA2GPR84FFAR1NFKB1
SCHEMBL23581912 0.94 CA2 (0.55) CA1CA2GPR84FFAR1NFKB1
SCHEMBL4620547 0.94 CA2 (0.55) CA1CA2GPR84FFAR1NFKB1
SCHEMBL4620045 0.94 CA2 (0.55) CA1CA2GPR84FFAR1NFKB1
SCHEMBL4335770 0.93 CA1 (0.47) CA1CA2NFKB1
SCHEMBL9190593 0.91 FABP3 (0.49) CA1FAAHFFAR1MAPT

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-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
EP-1719763-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
EP-1719762-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 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-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) HGF, MET, FLT1 CA1 3008/4885CA2 1751/4885GPR84 432/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF CA1 2866/4885CA2 1430/4885GPR84 423/4885

“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.