SCHEMBL4606650

SCHEMBL4606650

CC(C)OC(=O)c1cc(C(=O)OC(C)C)cc(S(=O)(=O)[O-])c1.CC(C)OC(=O)c1cc(C(=O)OC(C)C)cc(S(=O)(=O)[O-])c1.[Ba+2]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.53
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
CA7 P43166 6/20 0.53
CA9 Q16790 6/20 0.53
CA14 Q9ULX7 6/20 0.53
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HTT P42858 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL4605272 0.97 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL4606941 0.97 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL6856358 0.87 CA12 (0.39) CA12CA1CA2CA7CA9
Lithium Ion SCHEMBL11202107 0.85 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL6854226 0.84 CA2 (0.37) CA12CA1CA2CA7CA9
SCHEMBL6296712 0.83 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL6856593 0.82 PRKCA (0.49) CA12CA1CA2CA7CA9
SCHEMBL6856281 0.82 PRKCA (0.43) CA12CA1CA2CA7CA9
SCHEMBL16606258 0.81 CA12 (0.75) CA12CA1CA2CA7CA9
SCHEMBL6291891 0.81 CA2 (0.37) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139710-B2 Aliphatic polyester resin compositions, molded articles of aliphatic polyester resin and method of producing same TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2015-09-22 US disclosed
EP-1707598-B1 ALIPHATIC POLYESTER RESIN COMPOSITION, ALIPHATIC POLYESTER RESIN MOLDING AND PROCESS FOR PRODUCING THE ALIPHATIC POLYESTER RESIN MOLDING TAKEMOTO OIL & FAT CO LTD (JP) 2008-07-09 EP disclosed
US-20070270535-A1 Aliphatic Polyester Resin Compositions, Molded Articles of Aliphatic Polyester Resin and Method of Producing Same TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2007-11-22 US disclosed
EP-1707598-A1 ALIPHATIC POLYESTER RESIN COMPOSITION, ALIPHATIC POLYESTER RESIN MOLDING AND PROCESS FOR PRODUCING THE ALIPHATIC POLYESTER RESIN MOLDING Takemoto Yushi Kabushiki Kaisha (JP) 2006-10-04 EP disclosed
US-6830859-B2 Electrostatic latent images; containing barium salt of sulfoisophthalic acid RICOH COMPANY, LTD. (JP) 2004-12-14 US disclosed
US-20030077534-A1 Charge control agent and toner using same RICOH COMPANY, LTD. (JP) 2003-04-24 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 (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-20030077534-A1 Charge control agent and toner using same BET1, SMARCA5, SMARCA1 CA12 54/4885CA1 58/4885CA2 14/4885

“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.