SCHEMBL4605876

SCHEMBL4605876

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.54
GAA P10253 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 1/20 0.46
SERPINE1 P05121 3/20 0.37
CYP19A1 P11511 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRB2 P47870 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ESR1 P03372 3/20 0.35
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
MMP3 P08254 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
SCHEMBL4604593 0.97 PKM (0.54) PKMGAAKDM4EALDH1A1KMT2A
SCHEMBL4603586 0.97 PKM (0.54) PKMGAAKDM4EALDH1A1KMT2A
SCHEMBL4605236 0.92 PKM (0.45) PKMGAAKDM4EALDH1A1KMT2A
SCHEMBL4606268 0.89 PKM (0.45) PKMGAAKDM4EALDH1A1KMT2A
SCHEMBL5525942 0.89 PKM (0.45) PKMGAAKDM4EALDH1A1KMT2A
SCHEMBL4603457 0.87 PKM (0.41) PKMGAAKDM4EALDH1A1KMT2A
SCHEMBL4603990 0.85 ALDH1A1 (0.44) PKMGAAKDM4EALDH1A1KMT2A
SCHEMBL4603505 0.85 PKM (0.41) PKMGAAKDM4EALDH1A1KMT2A
SCHEMBL6293055 0.84 PKM (0.55) PKMGAAKDM4EALDH1A1KMT2A
SCHEMBL6856008 0.84 PKM (0.55) PKMGAAKDM4EALDH1A1KMT2A

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 PKM 4207/4885GAA 500/4885KDM4E 907/4885

“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.