SCHEMBL6855831

SCHEMBL6855831

CCOC(=O)c1cc(C(=O)OCC)cc(S(=O)(=O)O)c1.[BaH2]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA12 O43570 3/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 3/20 0.55
CA14 Q9ULX7 3/20 0.55
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
HPGD P15428 2/20 0.45
RECQL P46063 1/20 0.45
STS P08842 1/20 0.45
CYP1A2 P05177 2/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL5173174 0.98 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL27667918 0.96 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL7123606 0.96 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL6296730 0.96 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL27667910 0.96 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL27647425 0.96 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL9121567 0.96 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL19889429 0.92 KDM4E (0.54) CA1CA2CA12CA7CA9
SCHEMBL433841 0.92 LCK (0.65) CA1CA2CA12CA7CA9
SCHEMBL7917014 0.90 LCK (0.62) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100480327-C Aliphatic polyester resin composition, aliphatic polyester resin molded article, and method for producing aliphatic polyester resin molded article TAKEMOTO OIL & FAT CO LTD (JP) 2009-04-22 CN disclosed
CN-1910236-A Aliphatic polyester resin composition, aliphatic polyester resin molded article, and method for producing aliphatic polyester resin molded article TAKEMOTO OIL & FAT CO LTD (JP) 2007-02-07 CN 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 CA1 58/4885CA2 14/4885CA12 54/4885

“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.