SCHEMBL6856008

SCHEMBL6856008

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 1/20 0.47
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
SERPINE1 P05121 3/20 0.38
CYP19A1 P11511 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRB2 P47870 1/20 0.36
ESR1 P03372 3/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
P2RY12 Q9H244 1/20 0.35
SCN1A P35498 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
SCHEMBL6293055 0.97 PKM (0.55) PKMKDM4EALDH1A1GAAKMT2A
SCHEMBL6855750 0.84 LCK (0.46) PKMKDM4EALDH1A1GAAKMT2A
SCHEMBL4603586 0.84 PKM (0.54) PKMKDM4EALDH1A1GAAKMT2A
SCHEMBL4604593 0.84 PKM (0.54) PKMKDM4EALDH1A1GAAKMT2A
SCHEMBL4605876 0.84 PKM (0.54) PKMKDM4EALDH1A1GAAKMT2A
SCHEMBL6858648 0.83 LMNA (0.50) KDM4EALDH1A1LCKFYNSERPINE1
SCHEMBL17879747 0.82 LCK (0.43) PKMKDM4EALDH1A1GAAKMT2A
SCHEMBL28758629 0.81 LCK (0.46) PKMKDM4EALDH1A1GAAKMT2A
SCHEMBL27647418 0.81 LCK (0.46) PKMKDM4EALDH1A1GAAKMT2A
SCHEMBL27668239 0.81 LCK (0.46) PKMKDM4EALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4207/4885KDM4E 907/4885ALDH1A1 4656/4885

“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.